Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CCNC | P24863 | 2/20 | 0.44 |
| ▸ | CDK8 | P49336 | 2/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | P2RY1 | P47900 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | MAPK3 | P27361 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL6878023 | 1.00 | EPHX2 (0.45) | EPHX2GAATSHRALDH1A1CCNC | |
| SCHEMBL6867232 | 0.91 | P2RY1 (0.49) | MCHR1ADRA2AADRA1AHRH1P2RY1 | |
| SCHEMBL6867237 | 0.91 | P2RY1 (0.49) | MCHR1ADRA2AADRA1AHRH1P2RY1 | |
| SCHEMBL7114626 | 0.89 | MCHR1 (0.46) | EPHX2TSHRALDH1A1MCHR1ADRA2A | |
| SCHEMBL7114622 | 0.89 | MCHR1 (0.46) | EPHX2TSHRALDH1A1MCHR1ADRA2A | |
| SCHEMBL6880615 | 0.87 | CCNC (0.47) | EPHX2GAACCNCCDK8MCHR1 | |
| SCHEMBL6880682 | 0.87 | CCNC (0.44) | EPHX2GAACCNCCDK8MCHR1 | |
| SCHEMBL6880688 | 0.87 | CCNC (0.44) | EPHX2GAACCNCCDK8MCHR1 | |
| SCHEMBL6880610 | 0.87 | CCNC (0.47) | EPHX2GAACCNCCDK8MCHR1 | |
| SCHEMBL6877409 | 0.86 | KMT2A (0.56) | MCHR1ADRA2AADRA1AHRH1CYP2D6 |
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 |