Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.57 |
| ▸ | KIT | P10721 | 3/20 | 0.55 |
| ▸ | CNR1 | P21554 | 3/20 | 0.51 |
| ▸ | CNR2 | P34972 | 3/20 | 0.51 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.49 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.49 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.46 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL18237008 | 0.81 | HDAC6 (0.68) | PARP1KITCNR1CNR2AURKA | |
| SCHEMBL6124304 | 0.77 | NPC1 (0.61) | ALDH1A1HPGDHSD17B10 | |
| SCHEMBL7449604 | 0.77 | ATR (0.58) | FGFR1KDRALDH1A1HPGDL3MBTL1 | |
| SCHEMBL1665040 | 0.76 | PARP1 (0.53) | PARP1AURKAALDH1A1HPGDHSD17B10 | |
| SCHEMBL24061140 | 0.76 | HRH3 (0.58) | CNR1CNR2ALDH1A1HPGDPSMB8 | |
| SCHEMBL21087331 | 0.75 | NPC1 (0.60) | KDRALDH1A1HPGDHSD17B10 | |
| SCHEMBL8262963 | 0.75 | FGFR1 (0.51) | PARP1FGFR1FGFR2FGFR3KDR | |
| SCHEMBL18229495 | 0.75 | HDAC6 (0.79) | PARP1ACHEAURKAHDAC3HDAC1 | |
| SCHEMBL178443 | 0.74 | NCF1 (0.66) | ALDH1A1HPGDNCF1 | |
| SCHEMBL31478684 | 0.73 | CNR2 (0.55) | PARP1KITCNR1CNR2AURKA |
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-0968191-A1 | PHENYLBENZIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2000-01-05 | — | — | EP | claimed |
| WO-1998034923-A1 | PHENYLBENZIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1998-08-13 | — | — | WO | claimed |