Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 2/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 9/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | HRH1 | P35367 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6875736 | 1.00 | AURKB (0.43) | AURKBCNR1KCNH2MCHR1AURKA | |
| SCHEMBL6874385 | 0.90 | SIGMAR1 (0.49) | AURKBCNR1KCNH2MCHR1AURKA | |
| SCHEMBL6874375 | 0.90 | SIGMAR1 (0.49) | AURKBCNR1KCNH2MCHR1AURKA | |
| SCHEMBL6876586 | 0.88 | AURKB (0.54) | AURKBCNR1KCNH2MCHR1AURKA | |
| SCHEMBL6876573 | 0.88 | AURKB (0.54) | AURKBCNR1KCNH2MCHR1AURKA | |
| SCHEMBL6867477 | 0.85 | ACHE (0.44) | AURKBCNR1KCNH2MCHR1ACHE | |
| SCHEMBL6869407 | 0.85 | EPHX2 (0.55) | AURKBCNR1KCNH2MCHR1AURKA | |
| SCHEMBL6867496 | 0.85 | ACHE (0.44) | AURKBCNR1KCNH2MCHR1ACHE | |
| SCHEMBL6869412 | 0.85 | EPHX2 (0.55) | AURKBCNR1KCNH2MCHR1AURKA | |
| SCHEMBL6456482 | 0.85 | AURKB (0.43) | AURKBCNR1KCNH2MCHR1AURKA |
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 |