Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APAF1 | O14727 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CASR | P41180 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9293118 | 1.00 | APAF1 (0.51) | APAF1CYP3A4CASRCHRM2HTR1A | |
| SCHEMBL24763134 | 0.78 | APAF1 (0.58) | APAF1CYP3A4CASRCHRM2HTR1A | |
| SCHEMBL24762950 | 0.78 | APAF1 (0.58) | APAF1CYP3A4CASRCHRM2HTR1A | |
| SCHEMBL24763133 | 0.78 | APAF1 (0.58) | APAF1CYP3A4CASRCHRM2HTR1A | |
| SCHEMBL24763132 | 0.78 | APAF1 (0.58) | APAF1CYP3A4CASRCHRM2HTR1A | |
| SCHEMBL24763240 | 0.78 | APAF1 (0.58) | APAF1CYP3A4CASRCHRM2HTR1A | |
| SCHEMBL24762843 | 0.78 | APAF1 (0.58) | APAF1CYP3A4CASRCHRM2HTR1A | |
| SCHEMBL24763230 | 0.78 | APAF1 (0.58) | APAF1CYP3A4CASRCHRM2HTR1A | |
| SCHEMBL24762973 | 0.78 | APAF1 (0.58) | APAF1CYP3A4CASRCHRM2HTR1A | |
| SCHEMBL13004091 | 0.78 | LMNA (0.53) | APAF1CYP3A4CASRCHRM2HTR1A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5334765-A | Intermediate for leukotriene antagonists | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-08-02 | — | — | US | disclosed |
| US-5286740-A | Leukotrine antagonists; antiinflammatory agnets, antiallergens, treating asthma | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-02-15 | — | — | US | disclosed |