Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.57 |
| ▸ | TACR3 | P29371 | 12/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4134901 | 0.88 | TACR1 (0.71) | TACR1TACR3CYP3A4 | |
| SCHEMBL23385302 | 0.87 | TACR1 (0.60) | TACR1TACR3CYP3A4 | |
| SCHEMBL6664695 | 0.85 | TACR1 (0.47) | TACR1TACR3CYP3A4 | |
| SCHEMBL7760176 | 0.84 | TACR1 (0.78) | TACR1TACR3CYP3A4 | |
| SCHEMBL6016366 | 0.79 | TACR1 (0.51) | TACR1TACR3CYP3A4 | |
| SCHEMBL6521393 | 0.79 | TACR1 (0.55) | TACR1TACR3CYP3A4 | |
| SCHEMBL23385207 | 0.79 | TACR1 (0.58) | TACR1TACR3CYP3A4 | |
| SCHEMBL1870486 | 0.78 | TACR1 (0.72) | TACR1TACR3CYP3A4 | |
| SCHEMBL6019571 | 0.78 | TACR1 (0.62) | TACR1TACR3CYP3A4 | |
| SCHEMBL15227973 | 0.76 | TACR1 (0.55) | TACR1TACR3 |
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-1035115-B1 | 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists | HOFFMANN LA ROCHE (CH) | 2004-09-29 | — | — | EP | claimed |