Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 11/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.40 |
| ▸ | HRH1 | P35367 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL6868904 | 1.00 | SIGMAR1 (0.46) | SIGMAR1MCHR1ALDH1A1L3MBTL1MAPK8 | |
| SCHEMBL6457031 | 0.89 | MCHR1 (0.43) | SIGMAR1MCHR1MAPK8MAPK9MAPK10 | |
| SCHEMBL6457021 | 0.89 | MCHR1 (0.43) | SIGMAR1MCHR1MAPK8MAPK9MAPK10 | |
| SCHEMBL6874855 | 0.88 | ALDH1A1 (0.41) | SIGMAR1MCHR1ALDH1A1L3MBTL1MAPK8 | |
| SCHEMBL6874860 | 0.88 | ALDH1A1 (0.41) | SIGMAR1MCHR1ALDH1A1L3MBTL1MAPK8 | |
| SCHEMBL6456613 | 0.87 | SIGMAR1 (0.48) | SIGMAR1MCHR1ALDH1A1L3MBTL1CDK2 | |
| SCHEMBL6456622 | 0.87 | SIGMAR1 (0.48) | SIGMAR1MCHR1ALDH1A1L3MBTL1CDK2 | |
| SCHEMBL6874044 | 0.85 | AURKA (0.50) | SIGMAR1MCHR1ALDH1A1MAPK8CYP2C9 | |
| SCHEMBL6874037 | 0.85 | AURKA (0.50) | SIGMAR1MCHR1ALDH1A1MAPK8CYP2C9 | |
| SCHEMBL6877723 | 0.82 | MCHR1 (0.42) | MCHR1MAPK8CYP2C9CCNE1CDK2 |
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 |