Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 7/20 | 0.40 |
| ▸ | ACHE | P22303 | 3/20 | 0.40 |
| ▸ | BACE1 | P56817 | 2/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.38 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.38 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6869172 | 1.00 | CNR1 (0.45) | CNR1KCNH2AURKBMCHR1ACHE | |
| SCHEMBL6875802 | 0.91 | ACHE (0.48) | CNR1KCNH2AURKBMCHR1ACHE | |
| SCHEMBL6875798 | 0.91 | ACHE (0.48) | CNR1KCNH2AURKBMCHR1ACHE | |
| SCHEMBL6873488 | 0.88 | ACHE (0.51) | CNR1KCNH2AURKBMCHR1ACHE | |
| SCHEMBL6868661 | 0.88 | CNR1 (0.41) | CNR1KCNH2AURKBMCHR1ACHE | |
| SCHEMBL6875018 | 0.88 | ACHE (0.43) | CNR1KCNH2AURKBMCHR1ACHE | |
| SCHEMBL6873495 | 0.88 | ACHE (0.51) | CNR1KCNH2AURKBMCHR1ACHE | |
| SCHEMBL6868672 | 0.88 | CNR1 (0.41) | CNR1KCNH2AURKBMCHR1ACHE | |
| SCHEMBL6875044 | 0.88 | ACHE (0.43) | CNR1KCNH2AURKBMCHR1ACHE | |
| SCHEMBL6873081 | 0.88 | TSHR (0.51) | CNR1KCNH2AURKBMCHR1ACHE |
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 |