Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR2 | P50052 | 8/20 | 0.49 |
| ▸ | AGTR1 | P30556 | 8/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6008041 | 0.94 | AGTR1 (0.57) | AGTR2AGTR1 | |
| SCHEMBL9699511 | 0.93 | AGTR1 (0.54) | AGTR2AGTR1 | |
| SCHEMBL9527610 | 0.92 | AGTR1 (0.44) | AGTR2AGTR1NPC1CYP1A2CYP3A4 | |
| SCHEMBL8841897 | 0.91 | AGTR2 (0.41) | AGTR2AGTR1NPC1CYP1A2CYP3A4 | |
| SCHEMBL8841540 | 0.91 | AGTR2 (0.43) | AGTR2AGTR1NPC1CYP1A2CYP3A4 | |
| SCHEMBL9527391 | 0.89 | AGTR1 (0.43) | AGTR2AGTR1NPC1CYP1A2CYP3A4 | |
| SCHEMBL8841753 | 0.89 | AGTR2 (0.43) | AGTR2AGTR1NPC1CYP1A2CYP3A4 | |
| SCHEMBL8110883 | 0.89 | AGTR1 (0.45) | AGTR2AGTR1 | |
| SCHEMBL8841957 | 0.89 | AGTR2 (0.42) | AGTR2AGTR1NPC1CYP1A2CYP3A4 | |
| SCHEMBL8105196 | 0.88 | AGTR1 (0.58) | AGTR2AGTR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0527851-A1 | 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1993-02-24 | — | — | EP | disclosed |
| US-5098920-A | Hypotensive agents and treatment of congestive heart failure | G. D. SEARLE & CO. (US) | 1992-03-24 | — | — | US | disclosed |
| WO-1991017148-A1 | 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1991-11-14 | — | — | WO | disclosed |