Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH5 | P11766 | 9/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | F9 | P00740 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7833681 | 0.92 | ADH5 (0.48) | ADH5CYP1A2CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL7834392 | 0.89 | ALDH1A1 (0.50) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL7821729 | 0.87 | RAB9A (0.55) | CYP1A2CYP3A4CYP2D6ALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL8159907 | 0.86 | RAB9A (0.54) | CYP1A2CYP3A4CYP2D6ALDH1A1MEN1 | |
| SCHEMBL7830510 | 0.85 | MAOA (0.45) | CYP1A2CYP3A4CYP2D6CYP2C19MEN1 | |
| SCHEMBL7831103 | 0.85 | SMN1; SMN2 (0.55) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL7834555 | 0.85 | RAB9A (0.55) | CYP1A2CYP3A4CYP2D6CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL8149742 | 0.85 | RAB9A (0.54) | CYP1A2CYP3A4CYP2D6CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL8148413 | 0.85 | MAOA (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL8142732 | 0.85 | SMN1; SMN2 (0.54) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 |
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-0894795-B1 | Benzimidazole, benzoxazole and benzothiazole derivatives, their preparation and pharmaceutical compositions containing them | ADIR (FR) | 2001-06-06 | — | — | EP | disclosed |
| US-6040327-A | INHIBITORS OF INTERLEUKINS; TREATING RHEUMATOID ARTHRITIS OR ARTHROSIS | ADIR ET COMPAGNIE (FR) | 2000-03-21 | — | — | US | disclosed |
| EP-0894795-A1 | Benzimidazole, benzoxazole and benzothiazole derivatives, their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1999-02-03 | — | — | EP | disclosed |