Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | TACR2 | P21452 | 13/20 | 0.52 |
| ▸ | TACR3 | P29371 | 12/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.52 |
| ▸ | TRPV4 | Q9HBA0 | 5/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL5745891 | 0.94 | CYP2C9 (0.52) | CYP2C9TACR2TACR3OPRM1TRPV4 | |
| SCHEMBL5746812 | 0.91 | CYP2C9 (0.51) | CYP2C9TACR2TACR3OPRM1TRPV4 | |
| SCHEMBL5744054 | 0.88 | CYP2C9 (0.50) | CYP2C9TACR2TACR3OPRM1TRPV4 | |
| SCHEMBL5746933 | 0.87 | CYP2C9 (0.48) | CYP2C9TACR2TACR3OPRM1TRPV4 | |
| SCHEMBL5744608 | 0.81 | TACR2 (0.55) | TACR2TACR3OPRM1TRPV4 | |
| SCHEMBL14564769 | 0.81 | TACR2 (0.66) | CYP2C9TACR2TACR3OPRM1TRPV4 | |
| SCHEMBL14579342 | 0.80 | TACR2 (0.68) | CYP2C9TACR2TACR3OPRM1TRPV4 | |
| SCHEMBL6199955 | 0.80 | TACR2 (0.66) | TACR2TACR3OPRM1TRPV4 | |
| SCHEMBL14564770 | 0.80 | TACR2 (0.68) | CYP2C9TACR2TACR3OPRM1TRPV4 | |
| SCHEMBL6201403 | 0.80 | TACR2 (0.62) | TACR2TACR3OPRM1TRPV4 |
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-1385839-B1 | 3-SUBSTITUTED QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS | GLAXOSMITHKLINE SPA (IT) | 2006-02-22 | — | — | EP | claimed |