Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 16/20 | 0.69 |
| ▸ | TACR1 | P25103 | 14/20 | 0.69 |
| ▸ | TACR3 | P29371 | 8/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | CCR5 | P51681 | 2/20 | 0.63 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7525733 | 1.00 | TACR2 (0.69) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6448610 | 1.00 | TACR2 (0.69) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL6526326 | 0.99 | TACR2 (0.69) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL6526325 | 0.99 | TACR2 (0.69) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL6690585 | 0.99 | TACR2 (0.69) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7088972 | 0.90 | TACR2 (0.56) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7089311 | 0.89 | TACR2 (0.55) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7090074 | 0.89 | TACR2 (0.55) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7085661 | 0.88 | TACR2 (0.54) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7089315 | 0.88 | TACR2 (0.54) | TACR2TACR1TACR3CYP3A4CYP2D6 |
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-1192952-A2 | Combination, for treating depression and anxiety, containing an NK-3 receptor antagonist and a CNS penetrant NK-1 receptor antagonist | Pfizer Products Inc. (US) | 2002-04-03 | — | — | EP | claimed |