Insights · Deep Dive
Targets · seed proposals
Catalog counts and graph signals for fields, expansion seeds, and BioMoa program links. An LLM does not invent candidates, structures, or SMILES.
StructureMoa is a chemical-structure exploration tool. Structural similarity, clustering, and SAR relationships are intended for research exploration and do not establish shared potency, selectivity, safety, efficacy, or clinical performance.
Fields 8Seed 10Targets 8Discovery signals 24Catalog signals
These cards are catalog counts and graph signals. An LLM does not invent candidates, structures, or SMILES.
How similarity is calculated · How exploration priority is scored
Deep-dive fields
Therapeutic or chemotype fields ordered from catalog density, high exploration-priority count, and discovery signals.
- ADC payload51
- Field
- ADC payload
- Catalog families
- 3
- Compounds
- 7
- S-tier seeds
- 3
- Discovery signals
- —
- Priority score
- 51
- Primary reason
- Catalog density
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- familyCount
- 3
- compounds
- 7
- sTier
- 3
- aTier
- 0
- discoveryCount
- 0
- hot
- true
- avgDiscoveryScore
- 0
- RET / MET / NTRK TKI49
- Field
- RET / MET / NTRK TKI
- Catalog families
- 1
- Compounds
- 1
- S-tier seeds
- 0
- Discovery signals
- Sparse SAR · Leaf node · Weakly linked
- Priority score
- 49
- Primary reason
- Sparse SAR
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- familyCount
- 1
- compounds
- 1
- sTier
- 0
- aTier
- 0
- discoveryCount
- 5
- hot
- true
- avgDiscoveryScore
- 87
- ALK / ROS1 TKI44
- Field
- ALK / ROS1 TKI
- Catalog families
- 1
- Compounds
- 1
- S-tier seeds
- 0
- Discovery signals
- Sparse SAR · Weakly linked
- Priority score
- 44
- Primary reason
- Sparse SAR
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- familyCount
- 1
- compounds
- 1
- sTier
- 0
- aTier
- 0
- discoveryCount
- 4
- hot
- false
- avgDiscoveryScore
- 87
- KRAS inhibitor40
- Field
- KRAS inhibitor
- Catalog families
- 3
- Compounds
- 5
- S-tier seeds
- 0
- Discovery signals
- Leaf node
- Priority score
- 40
- Primary reason
- Leaf node
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- familyCount
- 3
- compounds
- 5
- sTier
- 0
- aTier
- 1
- discoveryCount
- 1
- hot
- true
- avgDiscoveryScore
- 82
- Parkinson36
- Field
- Parkinson
- Catalog families
- 1
- Compounds
- 1
- S-tier seeds
- 0
- Discovery signals
- Sparse SAR · Leaf node
- Priority score
- 36
- Primary reason
- Sparse SAR
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- familyCount
- 1
- compounds
- 1
- sTier
- 0
- aTier
- 1
- discoveryCount
- 2
- hot
- true
- avgDiscoveryScore
- 93
- GLP-1 / incretin34
- Field
- GLP-1 / incretin
- Catalog families
- 1
- Compounds
- 1
- S-tier seeds
- 1
- Discovery signals
- Leaf node
- Priority score
- 34
- Primary reason
- Leaf node
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- familyCount
- 1
- compounds
- 1
- sTier
- 1
- aTier
- 0
- discoveryCount
- 1
- hot
- true
- avgDiscoveryScore
- 88
- EGFR TKI34
- Field
- EGFR TKI
- Catalog families
- 1
- Compounds
- 1
- S-tier seeds
- 1
- Discovery signals
- Leaf node
- Priority score
- 34
- Primary reason
- Leaf node
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- familyCount
- 1
- compounds
- 1
- sTier
- 1
- aTier
- 0
- discoveryCount
- 1
- hot
- true
- avgDiscoveryScore
- 88
- Antidepressant · SSRI/SNRI34
- Field
- Antidepressant · SSRI/SNRI
- Catalog families
- 1
- Compounds
- 1
- S-tier seeds
- 0
- Discovery signals
- Sparse SAR · Leaf node
- Priority score
- 34
- Primary reason
- Sparse SAR
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- familyCount
- 1
- compounds
- 1
- sTier
- 0
- aTier
- 0
- discoveryCount
- 2
- hot
- true
- avgDiscoveryScore
- 94
Seed structures
Pharmacophore or payload anchors already in the catalog, ordered by graph and Exploration Score signals.
- Levodopa100
- Family
- Parkinson dopaminergic / MAO-B series
- Role
- Drug
- S-tier seeds
- Med
- Discovery signals
- Sparse SAR · Leaf node
- Priority score
- 100
- Primary reason
- Sparse SAR
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- tierScore
- 57
- discoveryBoost
- 65
- derivedChildren
- 0
- familySize
- 9
- Fluoxetine100
- Family
- SSRI / SNRI antidepressant series
- Role
- Drug
- S-tier seeds
- Med
- Discovery signals
- Sparse SAR · Leaf node
- Priority score
- 100
- Primary reason
- Sparse SAR
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- tierScore
- 53
- discoveryBoost
- 66
- derivedChildren
- 0
- familySize
- 6
- Selpercatinib100
- Family
- RET / MET / NTRK oncogene TKI series
- Role
- Drug
- S-tier seeds
- Med
- Discovery signals
- Sparse SAR · Leaf node
- Priority score
- 100
- Primary reason
- Sparse SAR
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- tierScore
- 52
- discoveryBoost
- 66
- derivedChildren
- 0
- familySize
- 7
- Exenatide83
- Family
- GLP-1 / incretin agonist series
- Role
- Drug
- S-tier seeds
- High
- Discovery signals
- Leaf node
- Priority score
- 83
- Primary reason
- Leaf node
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- tierScore
- 59
- discoveryBoost
- 31
- derivedChildren
- 0
- familySize
- 6
- Gefitinib83
- Family
- EGFR tyrosine kinase inhibitor series
- Role
- Drug
- S-tier seeds
- High
- Discovery signals
- Leaf node
- Priority score
- 83
- Primary reason
- Leaf node
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- tierScore
- 59
- discoveryBoost
- 31
- derivedChildren
- 0
- familySize
- 6
- Methylphenidate75
- Family
- ADHD stimulant / non-stimulant series
- Role
- Drug
- S-tier seeds
- Med
- Discovery signals
- Leaf node
- Priority score
- 75
- Primary reason
- Leaf node
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- tierScore
- 55
- discoveryBoost
- 31
- derivedChildren
- 0
- familySize
- 6
- Levetiracetam71
- Family
- Antiepileptic drug chemical series
- Role
- Drug
- S-tier seeds
- Med
- Discovery signals
- Sparse SAR
- Priority score
- 71
- Primary reason
- Sparse SAR
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- tierScore
- 50
- discoveryBoost
- 35
- derivedChildren
- 0
- familySize
- 5
- Crizotinib70
- Family
- ALK / ROS1 TKI chemical series
- Role
- Drug
- S-tier seeds
- Low
- Discovery signals
- Sparse SAR
- Priority score
- 70
- Primary reason
- Sparse SAR
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- tierScore
- 49
- discoveryBoost
- 35
- derivedChildren
- 0
- familySize
- 4
- Donepezil70
- Family
- Cognitive modulator series
- Role
- Drug
- S-tier seeds
- Low
- Discovery signals
- Sparse SAR
- Priority score
- 70
- Primary reason
- Sparse SAR
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- tierScore
- 49
- discoveryBoost
- 35
- derivedChildren
- 0
- familySize
- 4
- Fingolimod70
- Family
- MS S1P modulator series
- Role
- Drug
- S-tier seeds
- Low
- Discovery signals
- Sparse SAR
- Priority score
- 70
- Primary reason
- Sparse SAR
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- tierScore
- 49
- discoveryBoost
- 35
- derivedChildren
- 0
- familySize
- 4
Linked BioMoa programs
Name/category matches between StructureMoa chemotypes and BioMoa program pages. Heuristic links, not new targets.
- 프로그램 검색 · RET / MET / NTRK55
- Linked chemotypes
- RET / MET / NTRK TKI · Selpercatinib
- Catalog families
- ret-met-ntrk
- Priority score
- 55
- Primary reason
- field_density · seed_anchor
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- fieldHits
- 1
- seedHits
- 1
- gapHits
- 0
- crossHits
- 0
- chemotypeCount
- 2
- 프로그램 검색 · Parkinson / CNS49
- Linked chemotypes
- Parkinson · Levodopa
- Catalog families
- parkinson-dopaminergic
- Priority score
- 49
- Primary reason
- field_density · seed_anchor
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- fieldHits
- 1
- seedHits
- 1
- gapHits
- 0
- crossHits
- 0
- chemotypeCount
- 2
- 프로그램 검색 · CNS antidepressant49
- Linked chemotypes
- Antidepressant · SSRI/SNRI · Fluoxetine
- Catalog families
- ssri-snri-series
- Priority score
- 49
- Primary reason
- field_density · seed_anchor
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- fieldHits
- 1
- seedHits
- 1
- gapHits
- 0
- crossHits
- 0
- chemotypeCount
- 2
- 프로그램 검색 · GABAergic / CNS49
- Linked chemotypes
- Levetiracetam · Donepezil
- Catalog families
- antiepileptic-series · cognitive-modulator-series
- Priority score
- 49
- Primary reason
- seed_anchor
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- fieldHits
- 0
- seedHits
- 2
- gapHits
- 0
- crossHits
- 0
- chemotypeCount
- 2
- GLP-1 / incretin43
- Linked chemotypes
- GLP-1 / incretin · Exenatide
- Catalog families
- glp1-agonists
- Priority score
- 43
- Primary reason
- field_density · seed_anchor
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- fieldHits
- 1
- seedHits
- 1
- gapHits
- 0
- crossHits
- 0
- chemotypeCount
- 2
- EGFR TKI 프로그램43
- Linked chemotypes
- EGFR TKI · Gefitinib
- Catalog families
- egfr-inhibitors
- Priority score
- 43
- Primary reason
- field_density · seed_anchor
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- fieldHits
- 1
- seedHits
- 1
- gapHits
- 0
- crossHits
- 0
- chemotypeCount
- 2
- 프로그램 검색 · ALK inhibitor42
- Linked chemotypes
- ALK / ROS1 TKI · Crizotinib
- Catalog families
- alk-inhibitors
- Priority score
- 42
- Primary reason
- field_density · seed_anchor
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- fieldHits
- 1
- seedHits
- 1
- gapHits
- 0
- crossHits
- 0
- chemotypeCount
- 2
- 프로그램 검색 · ADHD / CNS26
- Linked chemotypes
- Methylphenidate
- Catalog families
- adhd-stimulant
- Priority score
- 26
- Primary reason
- seed_anchor
- Limitation
- Internal catalog ranking, not efficacy
Score inputs · 점수 입력값
- fieldHits
- 0
- seedHits
- 1
- gapHits
- 0
- crossHits
- 0
- chemotypeCount
- 1
Assessed: 10/19/2026, 5:18:37 AM · cache 2 weeks · Exploration ranks