Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR8 | P51685 | 3/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | BTK | Q06187 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL6868814 | 1.00 | CCR8 (0.51) | CCR8SIGMAR1MCHR1NPC1CYP3A4 | |
| SCHEMBL7046163 | 0.92 | AURKB (0.47) | CCR8SIGMAR1MCHR1OPRM1OPRL1 | |
| SCHEMBL7046160 | 0.92 | AURKB (0.47) | CCR8SIGMAR1MCHR1OPRM1OPRL1 | |
| SCHEMBL6869319 | 0.91 | MCHR1 (0.55) | SIGMAR1MCHR1CYP3A4AURKAAURKB | |
| SCHEMBL6869316 | 0.91 | MCHR1 (0.55) | SIGMAR1MCHR1CYP3A4AURKAAURKB | |
| SCHEMBL6874044 | 0.88 | AURKA (0.50) | SIGMAR1MCHR1OPRM1OPRL1AURKA | |
| SCHEMBL6874037 | 0.88 | AURKA (0.50) | SIGMAR1MCHR1OPRM1OPRL1AURKA | |
| SCHEMBL6462440 | 0.85 | MCHR1 (0.62) | MCHR1NPC1AURKBKCNH2CNR1 | |
| SCHEMBL6462433 | 0.85 | MCHR1 (0.62) | MCHR1NPC1AURKBKCNH2CNR1 | |
| SCHEMBL6876586 | 0.84 | AURKB (0.54) | SIGMAR1MCHR1CYP3A4AURKAAURKB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1464335-A2 | Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist | Taisho Pharmaceutical Co. Ltd. (JP) | 2004-10-06 | — | — | EP | disclosed |