Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | RHEB | Q15382 | 1/20 | 0.46 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.46 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 8/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 8/20 | 0.45 |
| ▸ | PDE4A | P27815 | 5/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.45 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9781506 | 0.90 | NPC1 (0.51) | KCNH2KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL10769030 | 0.87 | PDE3B (0.43) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10770718 | 0.87 | PDE3B (0.44) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10771092 | 0.87 | PDE3B (0.44) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10770071 | 0.86 | MAPT (0.52) | KCNH2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL10771629 | 0.85 | PDE3B (0.41) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10768401 | 0.85 | IDO1 (0.42) | KCNH2PDE3BPDE3APDE4APDE4B | |
| SCHEMBL10771943 | 0.85 | PDE3B (0.44) | KCNH2PDE3BPDE3APDE4APDE4B | |
| SCHEMBL10772704 | 0.85 | PDE3B (0.43) | KCNH2PDE3BPDE3APDE4APDE4B | |
| SCHEMBL10770050 | 0.85 | PDE3B (0.43) | PDE3BPDE3APDE4APDE4BPDE4C |
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 |
|---|---|---|---|---|---|---|---|
| US-5026705-A | Benzimidazolylpyridazinones | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-06-25 | — | — | US | disclosed |
| US-4923869-A | INOTROPIC, VASODILATING, AND ANTITHROMBOTIC AGENTS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-05-08 | — | — | US | disclosed |
| EP-0193013-A2 | Benzimidazolyl-pyridazinones | MERCK PATENT GmbH (DE) | 1986-09-03 | — | — | EP | disclosed |