Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | F9 | P00740 | 6/20 | 0.46 |
| ▸ | CBFB | Q13951 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.41 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 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 | |
|---|---|---|---|---|
| SCHEMBL7834392 | 0.93 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7833681 | 0.89 | ADH5 (0.48) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7830518 | 0.83 | CBFB (0.50) | CYP1A2CYP3A4CYP2D6CYP2C19CBFB | |
| SCHEMBL7831108 | 0.83 | SMN1; SMN2 (0.55) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7834561 | 0.83 | RAB9A (0.56) | CYP1A2CYP3A4CYP2D6CYP2C19F9 | |
| SCHEMBL7821732 | 0.83 | RAB9A (0.58) | ALDH1A1CYP1A2CYP3A4CYP2D6CBFB | |
| SCHEMBL2619416 | 0.83 | PARP1 (0.45) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL8148415 | 0.82 | CBFB (0.49) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL8142735 | 0.82 | SMN1; SMN2 (0.54) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL8149755 | 0.82 | RAB9A (0.55) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 |
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 |