Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.50 |
| ▸ | TLR7 | Q9NYK1 | 7/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | PDE4A | P27815 | 2/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.47 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.46 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.46 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10480375 | 1.00 | NPC1 (0.56) | NPC1ALDH1A1CYP19A1TLR7POLB | |
| SCHEMBL10480361 | 0.99 | NPC1 (0.54) | NPC1ALDH1A1CYP19A1TLR7POLB | |
| SCHEMBL10480370 | 0.88 | CYP19A1 (0.45) | NPC1ALDH1A1CYP19A1TLR7POLB | |
| SCHEMBL10480359 | 0.83 | ALDH1A1 (0.51) | ALDH1A1CYP19A1 | |
| SCHEMBL14204047 | 0.82 | CYP11B1 (0.44) | NPC1ALDH1A1POLBPDE4APDE4B | |
| SCHEMBL15801095 | 0.82 | KDM4E (0.45) | ALDH1A1CYP19A1TLR7POLBPDE4A | |
| SCHEMBL11511765 | 0.80 | NPC1 (0.53) | NPC1ALDH1A1CYP19A1 | |
| SCHEMBL14557021 | 0.79 | POLB (0.41) | NPC1ALDH1A1POLB | |
| SCHEMBL11510482 | 0.78 | KDM4E (0.37) | NPC1ALDH1A1CYP19A1 | |
| SCHEMBL11513658 | 0.78 | NPC1 (0.51) | NPC1ALDH1A1CYP19A1TLR7 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1989006125-A1 | 4-ARALKYL-5-SUBSTITUTED-1,2,4-TRIAZOLE-5-THIOLS | SMITHKLINE BECKMAN CORPORATION (US) | 1989-07-13 | — | — | WO | claimed |
| EP-0323737-A1 | 4-Aralkyl-5-substituted-1,2,4-triazole-5-thiols | SMITHKLINE BEECHAM CORPORATION (US) | 1989-07-12 | — | — | EP | claimed |
| WO-1989006125-A1 | 4-ARALKYL-5-SUBSTITUTED-1,2,4-TRIAZOLE-5-THIOLS | SMITHKLINE BECKMAN CORPORATION (US) | 1989-07-13 | — | — | WO | disclosed |
| EP-0323737-A1 | 4-Aralkyl-5-substituted-1,2,4-triazole-5-thiols | SMITHKLINE BEECHAM CORPORATION (US) | 1989-07-12 | — | — | EP | disclosed |