Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 16/20 | 0.57 |
| ▸ | TACR2 | P21452 | 4/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | TACR1 | P25103 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.57 |
| ▸ | DHODH | Q02127 | 3/20 | 0.51 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4668719 | 0.90 | TACR3 (0.57) | TACR3TACR2 | |
| SCHEMBL4665574 | 0.90 | TACR3 (0.57) | TACR3TACR2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL4665598 | 0.87 | TACR3 (0.50) | TACR3TACR2OPRM1 | |
| SCHEMBL4667840 | 0.87 | TACR3 (0.59) | TACR3TACR2CYP3A4 | |
| SCHEMBL4665564 | 0.84 | TACR3 (0.61) | TACR3TACR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5042628 | 0.84 | TACR3 (0.62) | TACR3TACR2OPRM1 | |
| SCHEMBL14094495 | 0.78 | TACR3 (0.64) | TACR3TACR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4665583 | 0.78 | TACR3 (0.69) | TACR3TACR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14094517 | 0.78 | TACR3 (0.60) | TACR3TACR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14015160 | 0.77 | TACR3 (0.62) | TACR3TACR2CYP1A2CYP3A4CYP2D6 |
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 4 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 |
| EP-1928834-A1 | ALKYLNITRILE QUINOLINES, AS NK-3 RECEPTOR LIGANDS | AstraZeneca AB (SE) | 2008-06-11 | — | — | EP | disclosed |
| WO-2007035157-A1 | ALKYLNITRILE QUINOLINES, AS NK-3 RECEPTOR LIGANDS | ASTRAZENECA AB (SE) | 2007-03-29 | — | — | WO | disclosed |