Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 18/20 | 0.61 |
| ▸ | TACR2 | P21452 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5042628 | 0.85 | TACR3 (0.62) | TACR3TACR2OPRM1 | |
| SCHEMBL4668719 | 0.84 | TACR3 (0.57) | TACR3TACR2 | |
| SCHEMBL4665574 | 0.84 | TACR3 (0.57) | TACR3TACR2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL4667323 | 0.84 | TACR3 (0.57) | TACR3TACR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4667840 | 0.82 | TACR3 (0.59) | TACR3TACR2CYP3A4 | |
| SCHEMBL4665598 | 0.82 | TACR3 (0.50) | TACR3TACR2OPRM1 | |
| SCHEMBL4665569 | 0.80 | TACR3 (0.56) | TACR3CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4665567 | 0.79 | TACR3 (0.79) | TACR3TACR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3584610 | 0.78 | TACR3 (0.72) | TACR3TACR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3591378 | 0.76 | TACR3 (0.70) | TACR3CYP2C9 |
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-1928834-A1 | ALKYLNITRILE QUINOLINES, AS NK-3 RECEPTOR LIGANDS | AstraZeneca AB (SE) | 2008-06-11 | — | — | EP | claimed |
| WO-2007035157-A1 | ALKYLNITRILE QUINOLINES, AS NK-3 RECEPTOR LIGANDS | ASTRAZENECA AB (SE) | 2007-03-29 | — | — | WO | claimed |