Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 13/20 | 0.64 |
| ▸ | TACR2 | P21452 | 12/20 | 0.64 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.54 |
| ▸ | DHODH | Q02127 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5420737 | 0.94 | TACR3 (0.71) | TACR3TACR2OPRM1CYP2C9TRPV4 | |
| SCHEMBL5425877 | 0.89 | CYP2C9 (0.75) | TACR3TACR2OPRM1CYP2C9TSHR | |
| SCHEMBL5909008 | 0.83 | TACR3 (0.68) | TACR3TACR2OPRM1CYP2C9TRPV4 | |
| SCHEMBL5908992 | 0.83 | TACR3 (0.68) | TACR3TACR2OPRM1CYP2C9TRPV4 | |
| SCHEMBL4667064 | 0.83 | TACR3 (0.67) | TACR3TACR2OPRM1CYP2C9TRPV4 | |
| SCHEMBL1581445 | 0.82 | TACR3 (0.69) | TACR3TACR2OPRM1CYP2C9TRPV4 | |
| SCHEMBL14564772 | 0.82 | CYP2C9 (0.77) | TACR3TACR2OPRM1CYP2C9TRPV4 | |
| SCHEMBL8268049 | 0.81 | TACR3 (0.68) | TACR3TACR2OPRM1CYP2C9TRPV4 | |
| SCHEMBL1581261 | 0.81 | TACR3 (0.68) | TACR3TACR2OPRM1CYP2C9TRPV4 | |
| SCHEMBL1580919 | 0.81 | TACR3 (0.67) | TACR3TACR2OPRM1CYP2C9TRPV4 |
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-1385839-A1 | 3-SUBSTITUTED QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS | GlaxoSmithKline S.p.A. (IT) | 2004-02-04 | — | — | EP | disclosed |
| WO-2002083664-A1 | 3-SUBSTITUTED QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS | GLAXOSMITHKLINE S.P.A. (IT) | 2002-10-24 | — | — | WO | disclosed |