Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | GSK3B | P49841 | 2/20 | 0.44 |
| ▸ | CDC7 | O00311 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.44 |
| ▸ | PRKACA | P17612 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11270335 | 0.95 | CYP3A4 (0.48) | CYP2D6CYP3A4GSK3BCDC7ROCK2 | |
| SCHEMBL11269561 | 0.93 | CYP3A4 (0.44) | CYP2D6CYP3A4GSK3BCDC7ROCK2 | |
| SCHEMBL11271918 | 0.89 | MMP2 (0.49) | CYP2D6CYP3A4KDM4ENPC1ALDH1A1 | |
| Water SCHEMBL11275606 | 0.88 | MMP2 (0.48) | CYP2D6CYP3A4KDM4ENPC1ALDH1A1 | |
| SCHEMBL11265709 | 0.80 | PDE3B (0.45) | CYP2D6CYP3A4KDM4EALDH1A1HSD17B10 | |
| SCHEMBL11275736 | 0.76 | ABL1 (0.45) | MAP4K4MMP2MMP13MMP14GCGR | |
| SCHEMBL11218846 | 0.75 | AAK1 (0.53) | CYP2D6CYP3A4KDM4EALDH1A1HSD17B10 | |
| SCHEMBL11270413 | 0.74 | CYP11B2 (0.58) | CYP2D6CYP3A4KDM4ENPC1ALDH1A1 | |
| SCHEMBL11271873 | 0.72 | KDM4C (0.39) | KDM4ENPC1ALDH1A1LMNAMAPT | |
| SCHEMBL11221691 | 0.72 | PDE3B (0.49) | CYP2D6CYP3A4GSK3BCDC7KDM4E |
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 |