Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 16/20 | 1.00 |
| ▸ | IDO1 | P14902 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | AGXT | P21549 | 2/20 | 0.49 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8965336 | 0.88 | TACR1 (1.00) | TACR1 | |
| SCHEMBL4986022 | 0.87 | TACR1 (0.77) | TACR1IDO1CYP3A4AGXTTDO2 | |
| SCHEMBL8965434 | 0.85 | TACR1 (1.00) | TACR1 | |
| SCHEMBL8965502 | 0.83 | TACR1 (0.79) | TACR1IDO1AGXT | |
| SCHEMBL8965741 | 0.80 | TACR1 (0.67) | TACR1 | |
| SCHEMBL7968352 | 0.79 | TACR1 (0.65) | TACR1IDO1CYP3A4AGXT | |
| SCHEMBL7968356 | 0.79 | TACR1 (0.65) | TACR1IDO1CYP3A4AGXT | |
| SCHEMBL8965372 | 0.78 | TACR1 (0.63) | TACR1 | |
| SCHEMBL8965500 | 0.77 | TACR1 (1.00) | TACR1 | |
| SCHEMBL8912140 | 0.77 | TACR1 (1.00) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0593557-B1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME (GB) | 1996-01-31 | — | — | EP | claimed |
| WO-1993001160-A1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 1993-01-21 | — | — | WO | claimed |
| EP-0522808-A2 | Aromatic compounds, pharmaceutical compositions containing them and their use in therapy | MERCK SHARP & DOHME LTD. (GB) | 1993-01-13 | — | — | EP | claimed |