Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.55 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6869412 | 1.00 | EPHX2 (0.55) | EPHX2AURKBAURKACNR1KCNH2 | |
| SCHEMBL6876573 | 0.91 | AURKB (0.54) | EPHX2AURKBAURKACNR1KCNH2 | |
| SCHEMBL6876586 | 0.91 | AURKB (0.54) | EPHX2AURKBAURKACNR1KCNH2 | |
| SCHEMBL6459056 | 0.89 | MCHR1 (0.43) | EPHX2AURKBCNR1KCNH2MCHR1 | |
| SCHEMBL6459049 | 0.89 | MCHR1 (0.43) | EPHX2AURKBCNR1KCNH2MCHR1 | |
| SCHEMBL7046160 | 0.89 | AURKB (0.47) | EPHX2AURKBAURKACNR1KCNH2 | |
| SCHEMBL7046163 | 0.89 | AURKB (0.47) | EPHX2AURKBAURKACNR1KCNH2 | |
| SCHEMBL6869316 | 0.88 | MCHR1 (0.55) | AURKBAURKACNR1KCNH2MCHR1 | |
| SCHEMBL6869319 | 0.88 | MCHR1 (0.55) | AURKBAURKACNR1KCNH2MCHR1 | |
| SCHEMBL6879853 | 0.88 | LMNA (0.57) | AURKBAURKAMCHR1SIGMAR1ACHE |
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 |