Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | TACR3 | P29371 | 7/20 | 0.42 |
| ▸ | CNR2 | P34972 | 6/20 | 0.41 |
| ▸ | TRPV4 | Q9HBA0 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2149464 | 0.96 | CYP2C9 (0.46) | CYP2C9TACR3CNR2CNR1 | |
| SCHEMBL7949136 | 0.90 | CYP2C9 (0.47) | CYP2C9TACR3CNR2CNR1 | |
| SCHEMBL7952844 | 0.87 | CYP2C9 (0.50) | CYP2C9TACR3CNR2 | |
| SCHEMBL7950412 | 0.85 | CYP2C9 (0.49) | CYP2C9TACR3CNR2ALDH1A1 | |
| SCHEMBL7942368 | 0.84 | CYP2C9 (0.48) | CYP2C9TACR3 | |
| SCHEMBL7952865 | 0.84 | CYP2C9 (0.47) | CYP2C9TACR3 | |
| SCHEMBL2149459 | 0.84 | CYP2C9 (0.47) | CYP2C9TACR3 | |
| SCHEMBL11917814 | 0.84 | CYP2C9 (0.47) | CYP2C9TACR3ALDH1A1 | |
| SCHEMBL11917800 | 0.84 | CYP2C9 (0.47) | CYP2C9TACR3CNR2ALDH1A1 | |
| SCHEMBL2149057 | 0.83 | CYP2C9 (0.50) | CYP2C9TACR3 |
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-2342182-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-07-13 | — | — | EP | claimed |