Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 20/20 | 0.81 |
| ▸ | TACR2 | P21452 | 9/20 | 0.81 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | TACR1 | P25103 | 1/20 | 0.66 |
| ▸ | MEN1 | O00255 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.66 |
| ▸ | TP53 | P04637 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.66 |
| ▸ | BLM | P54132 | 1/20 | 0.66 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.66 |
| ▸ | ATM | Q13315 | 1/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL8800343 | 1.00 | TACR3 (0.81) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL6447407 | 0.90 | TACR3 (1.00) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL6448703 | 0.90 | TACR3 (1.00) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL6449768 | 0.90 | TACR3 (1.00) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL7342220 | 0.89 | TACR3 (0.80) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL7340896 | 0.89 | TACR3 (0.80) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL8199228 | 0.88 | TACR3 (0.78) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL8199230 | 0.88 | TACR3 (0.78) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL13995504 | 0.85 | TACR3 (0.78) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL13972077 | 0.82 | TACR3 (0.74) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0804419-A1 | QUINOLINE DERIVATIVES AS TACHYKININ NK 3 RECEPTOR ANTAGONISTS | SmithKline Beecham Farmaceutici S.p.A. (IT) | 1997-11-05 | — | — | EP | disclosed |