Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4027036 | 0.99 | TACR1 (0.56) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4023250 | 0.87 | TACR1 (0.57) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4700386 | 0.86 | TACR1 (0.58) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4029704 | 0.82 | TACR1 (0.73) | TACR1 | |
| SCHEMBL6248151 | 0.81 | TACR1 (0.66) | TACR1 | |
| SCHEMBL6248371 | 0.81 | TACR1 (0.69) | TACR1 | |
| SCHEMBL3247986 | 0.80 | TACR1 (0.77) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3244347 | 0.80 | TACR1 (0.77) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3245145 | 0.78 | TACR1 (0.66) | TACR1CYP3A4 | |
| SCHEMBL4027962 | 0.77 | TACR1 (0.63) | TACR1 |
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-1460066-B1 | Piperazine compounds as Tachykinins inhibitors | GLAXO GROUP LTD (GB) | 2009-07-01 | — | — | EP | claimed |
| EP-1454901-B1 | Pharmaceutical compositions comprising tachykinins antagonists and a serotonin reuptake inhibitor. | GLAXO GROUP LTD (GB) | 2008-09-03 | — | — | EP | claimed |