Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
| ▸ | EDNRB | P24530 | 1/20 | 0.30 |
| ▸ | EDNRA | P25101 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9318205 | 0.80 | TACR1 (0.46) | TACR1 | |
| SCHEMBL8459800 | 0.80 | TACR1 (0.46) | TACR1 | |
| SCHEMBL9318222 | 0.78 | TACR1 (0.52) | TACR1 | |
| SCHEMBL8965660 | 0.68 | TACR1 (0.67) | TACR1 | |
| SCHEMBL9392781 | 0.64 | TACR1 (0.50) | TACR1 | |
| SCHEMBL8963799 | 0.64 | ALDH1A1 (0.42) | EDNRBEDNRA | |
| SCHEMBL8460283 | 0.63 | TACR1 (0.50) | TACR1 | |
| SCHEMBL9317643 | 0.62 | TACR1 (0.46) | TACR1EDNRBEDNRA | |
| SCHEMBL9318573 | 0.62 | TACR1 (0.49) | TACR1EDNRBEDNRA | |
| SCHEMBL10389018 | 0.62 | GRIN1 (0.36) | CYP3A4CYP2D6 |
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-0593557-A1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY. | MERCK SHARP & DOHME (GB) | 1994-04-27 | — | — | EP | claimed |