Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 19/20 | 0.76 |
| ▸ | TACR2 | P21452 | 9/20 | 0.76 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.75 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | TACR1 | P25103 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL5635546 | 1.00 | TACR3 (0.76) | TACR3TACR2OPRM1TRPV4CYP1A2 | |
| SCHEMBL5636703 | 0.95 | TACR3 (0.81) | TACR3TACR2OPRM1TRPV4 | |
| SCHEMBL5636697 | 0.95 | TACR3 (0.81) | TACR3TACR2OPRM1TRPV4 | |
| SCHEMBL6228536 | 0.85 | TACR3 (0.84) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL6228533 | 0.85 | TACR3 (0.84) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL5636316 | 0.85 | TACR3 (0.84) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL5636312 | 0.85 | TACR3 (0.84) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL5635855 | 0.85 | TACR3 (0.83) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL8227625 | 0.85 | TACR3 (0.83) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL5636960 | 0.85 | TACR3 (1.00) | TACR3TACR2OPRM1CYP1A2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0983262-A1 | QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-2 AND NK-3 RECEPTOR ANTAGONISTS | Smithkline Beecham Farmaceutici S.p.A. (IT) | 2000-03-08 | — | — | EP | disclosed |
| WO-1998052942-A1 | QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-2 AND NK-3 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM S.P.A. (IT) | 1998-11-26 | — | — | WO | disclosed |