Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 17/20 | 0.77 |
| ▸ | TACR1 | P25103 | 16/20 | 0.77 |
| ▸ | TACR3 | P29371 | 8/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.75 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.75 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.75 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.75 |
| ▸ | CCR5 | P51681 | 2/20 | 0.67 |
| ▸ | HRH1 | P35367 | 1/20 | 0.53 |
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 SCHEMBL7745915 | 0.99 | TACR2 (0.76) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6543297 | 0.90 | TACR2 (0.78) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6448486 | 0.89 | TACR1 (0.79) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7090412 | 0.89 | TACR1 (0.79) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6449952 | 0.89 | TACR1 (0.79) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL7086538 | 0.89 | TACR1 (0.78) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL7086496 | 0.89 | TACR1 (0.78) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL6448714 | 0.89 | TACR1 (0.78) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL24855387 | 0.87 | TACR2 (0.81) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL31224200 | 0.87 | TACR2 (0.81) | 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-0673928-A1 | Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists | SANOFI (FR) | 1995-09-27 | — | — | EP | disclosed |