Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 16/20 | 0.67 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8965434 | 0.81 | TACR1 (1.00) | TACR1 | |
| SCHEMBL8966079 | 0.80 | TACR1 (1.00) | TACR1 | |
| SCHEMBL8965502 | 0.80 | TACR1 (0.79) | TACR1 | |
| SCHEMBL31568453 | 0.78 | TSHR (0.56) | TACR1MRGPRX1SLC6A2SLC6A4FFAR1 | |
| SCHEMBL22469683 | 0.78 | TSHR (0.56) | TACR1MRGPRX1SLC6A2SLC6A4FFAR1 | |
| SCHEMBL6668868 | 0.76 | MRGPRX4 (0.55) | SLC6A4FFAR1FFAR4MRGPRX4 | |
| SCHEMBL8965372 | 0.74 | TACR1 (0.63) | TACR1 | |
| SCHEMBL28384912 | 0.74 | MRGPRX4 (0.50) | FFAR1FFAR4MRGPRX4 | |
| SCHEMBL8965500 | 0.73 | TACR1 (1.00) | TACR1 | |
| SCHEMBL8912140 | 0.73 | 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 |