Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 5/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 5/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 5/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | F7 | P08709 | 1/20 | 0.33 |
| ▸ | CBFB | Q13951 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10844781 | 0.98 | KDM4E (0.35) | IDO1CYP1A2CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL11373497 | 0.84 | KDM4E (0.48) | IDO1CYP1A2CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL6454112 | 0.82 | METAP2 (0.50) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL11366560 | 0.82 | NPC1 (0.31) | KCNH2NPC1MAPTRAB9ALMNA | |
| Timoprazole SCHEMBL9247237 | 0.80 | CYP1A2 (0.51) | IDO1CYP1A2CYP2E1CYP2C8CYP2D6 | |
| Timoprazole SCHEMBL563458 | 0.80 | CYP1A2 (0.51) | IDO1CYP1A2CYP2E1CYP2C8CYP2D6 | |
| Timoprazole SCHEMBL464728 | 0.80 | CYP1A2 (0.51) | IDO1CYP1A2CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL10845034 | 0.80 | NPC1 (0.33) | KCNH2NPC1MAPTRAB9ALMNA | |
| SCHEMBL6441728 | 0.79 | CYP1A2 (0.41) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL6441721 | 0.79 | TRPC5 (0.39) | IDO1CYP1A2CYP2E1CYP2C8CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0001279-B1 | IMIDAZOLE DERIVATIVES THEIR SYNTHESIS AND THEIR PHARMACEUTICAL FORMULATIONS | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1981-09-30 | — | — | EP | disclosed |
| US-4248880-A | IMIDAZOLE OR THIAZOLE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 1981-02-03 | — | — | US | disclosed |
| US-4182766-A | ANTIULCER AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1980-01-08 | — | — | US | disclosed |
| EP-0001279-A1 | Imidazole derivatives their synthesis and their pharmaceutical formulations | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1979-04-04 | — | — | EP | disclosed |