Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | AGTR1 | P30556 | 4/20 | 0.53 |
| ▸ | DRD4 | P21917 | 1/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.49 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.49 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7274744 | 0.99 | AGTR1 (0.55) | CYP3A4CYP2D6CYP2C9ALOX15TSHR | |
| SCHEMBL7869986 | 0.89 | AGTR1 (0.52) | CYP3A4CYP2D6CYP2C9ALOX15TSHR | |
| SCHEMBL29394266 | 0.85 | CYP3A4 (0.74) | CYP3A4CYP2D6CYP2C9ALOX15TSHR | |
| SCHEMBL7286312 | 0.85 | CYP3A4 (0.74) | CYP3A4CYP2D6CYP2C9ALOX15TSHR | |
| Hydrochloric Acid SCHEMBL7286126 | 0.84 | AGTR1 (0.75) | CYP3A4CYP2D6CYP2C9ALOX15TSHR | |
| Tasosartan SCHEMBL49626 | 0.82 | AGTR1 (0.71) | AGTR1TBXA2RAGTR2PDE3A | |
| SCHEMBL7430580 | 0.79 | AGTR1 (0.59) | AGTR1TBXA2RAGTR2PDE3A | |
| SCHEMBL7283197 | 0.78 | CYP3A4 (0.50) | CYP3A4CYP2D6CYP2C9ALOX15TSHR | |
| SCHEMBL448437 | 0.77 | POLB (0.55) | CYP3A4CYP2D6CYP2C9ALOX15TSHR | |
| Hydrochloric Acid SCHEMBL7274829 | 0.77 | AGTR1 (0.50) | CYP3A4CYP2D6CYP2C9ALOX15TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5217976-A | Hypotensive agents, congestive heart failure | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-06-08 | — | — | US | disclosed |