Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 20/20 | 0.78 |
| ▸ | TACR2 | P21452 | 7/20 | 0.78 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.78 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.78 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.78 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.78 |
| ▸ | TACR1 | P25103 | 1/20 | 0.78 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.78 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | BLM | P54132 | 1/20 | 0.61 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | ATM | Q13315 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8199230 | 1.00 | TACR3 (0.78) | TACR3TACR2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7342220 | 0.88 | TACR3 (0.80) | TACR3TACR2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8800343 | 0.88 | TACR3 (0.81) | TACR3TACR2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8800348 | 0.88 | TACR3 (0.81) | TACR3TACR2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7340896 | 0.88 | TACR3 (0.80) | TACR3TACR2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL14567560 | 0.87 | TACR3 (0.79) | TACR3TACR2CYP1A2CYP3A4CYP2C9 | |
| Talnetant SCHEMBL74221 | 0.87 | TACR3 (1.00) | TACR3TACR2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL4995230 | 0.87 | TACR3 (0.79) | TACR3TACR2CYP1A2CYP3A4CYP2C9 | |
| Talnetant SCHEMBL74220 | 0.87 | TACR3 (1.00) | TACR3TACR2CYP1A2CYP3A4CYP2C9 | |
| Talnetant SCHEMBL6449764 | 0.87 | TACR3 (1.00) | TACR3TACR2CYP1A2CYP3A4CYP2C9 |
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-1019377-A1 | QUINOLINE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS NEUROKININ 3 (NK-3)- AND NEUROKININ 2 (NK-2) RECEPTOR ANTAGONISTS. | Smithkline Beecham S.p.A. (IT) | 2000-07-19 | — | — | EP | disclosed |
| WO-1997019926-A1 | QUINOLINE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS NEUROKININ 3 (NK-3)- AND NEUROKININ 2 (NK-2) RECEPTOR ANTAGONISTS. | SMITHKLINE BEECHAM S.P.A. (IT) | 1997-06-05 | — | — | WO | disclosed |