Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 19/20 | 0.82 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL21235997 | 0.93 | TACR1 (0.86) | TACR1GPBAR1CYP3A4 | |
| SCHEMBL905355 | 0.91 | TACR1 (0.77) | TACR1GPBAR1CYP3A4 | |
| SCHEMBL905384 | 0.90 | TACR1 (0.85) | TACR1GPBAR1CYP3A4 | |
| SCHEMBL905333 | 0.90 | TACR1 (0.85) | TACR1GPBAR1CYP3A4 | |
| SCHEMBL7560214 | 0.90 | TACR1 (0.84) | TACR1GPBAR1CYP3A4 | |
| SCHEMBL29467378 | 0.90 | TACR1 (1.00) | TACR1GPBAR1 | |
| SCHEMBL905330 | 0.90 | TACR1 (1.00) | TACR1GPBAR1 | |
| SCHEMBL21235998 | 0.90 | TACR1 (0.81) | TACR1GPBAR1CYP3A4 | |
| SCHEMBL21141417 | 0.89 | TACR1 (0.86) | TACR1GPBAR1CYP3A4 | |
| Hydrochloric Acid SCHEMBL905341 | 0.89 | TACR1 (0.98) | TACR1GPBAR1 |
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-1394150-B1 | 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists | HOFFMANN LA ROCHE (CH) | 2011-01-19 | — | — | EP | claimed |