Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | MMP14 | P50281 | 1/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | GCGR | P47871 | 4/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.40 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.40 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11273096 | 0.93 | CYP2D6 (0.54) | CYP3A4CYP2D6MMP2MMP13MMP14 | |
| SCHEMBL11270335 | 0.91 | CYP3A4 (0.48) | CYP3A4CYP2D6MMP2MMP13MMP14 | |
| SCHEMBL11271918 | 0.90 | MMP2 (0.49) | CYP3A4CYP2D6MMP2MMP13MMP14 | |
| Water SCHEMBL11275606 | 0.89 | MMP2 (0.48) | CYP3A4CYP2D6MMP2MMP13MMP14 | |
| SCHEMBL11265709 | 0.81 | PDE3B (0.45) | CYP3A4CYP2D6MMP2MMP13MMP14 | |
| SCHEMBL11275736 | 0.77 | ABL1 (0.45) | MMP2MMP13MMP14GCGRMAPK14 | |
| SCHEMBL11218846 | 0.76 | AAK1 (0.53) | CYP3A4CYP2D6MMP2MMP13MMP14 | |
| SCHEMBL11270413 | 0.75 | CYP11B2 (0.58) | CYP3A4CYP2D6MMP2MMP13MMP14 | |
| SCHEMBL11271873 | 0.73 | KDM4C (0.39) | MMP2MMP13MMP14PDE3BPDE3A | |
| SCHEMBL3974150 | 0.73 | RAB9A (0.53) | CYP2D6KDM4ENPC1ALDH1A1HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0055453-A2 | 5-(Pyridinyl)-benzimidazole derivatives and preparation | STERLING DRUG INC. (US) | 1982-07-07 | — | — | EP | disclosed |
| US-4335132-A | 5-(Py-Y)-1H-benzimidazol-2-ols and 5-(Py-Y-)-1H-benzimidazole-2-thiols | STERLING DRUG, INC. (US) | 1982-06-15 | — | — | US | disclosed |