Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALPG | P10696 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | PPARA | Q07869 | 2/20 | 0.35 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MMP8 | P22894 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4729185 | 0.83 | TRPA1 (0.37) | ATMTRPA1SRRMEN1KMT2A | |
| SCHEMBL7763429 | 0.77 | MEN1 (0.41) | MEN1KMT2A | |
| SCHEMBL4732149 | 0.76 | TRPA1 (0.36) | ATMTRPA1MEN1KMT2ATAAR1 | |
| SCHEMBL6949347 | 0.74 | TAAR1 (0.44) | MEN1KMT2ATAAR1OPRM1 | |
| SCHEMBL6400372 | 0.71 | OPRK1 (0.40) | ATMTRPA1MEN1KMT2ATAAR1 | |
| SCHEMBL4729192 | 0.71 | OPRK1 (0.40) | ATMTRPA1MEN1KMT2ATAAR1 | |
| SCHEMBL1529700 | 0.71 | ATM (0.43) | ATMTRPA1SRR | |
| SCHEMBL28233244 | 0.71 | CYP1A2 (0.41) | ATMSRRPPARGPPARACTRB1 | |
| SCHEMBL28185327 | 0.71 | SMN1; SMN2 (0.38) | ATMMEN1KMT2APPARGPPARA | |
| SCHEMBL6165008 | 0.71 | TAAR1 (0.38) | ATMMEN1KMT2ATAAR1EPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5610183-A | Phenylglycine derivatives pharmaceutical compositions containing them and their use in therapy | MERCK, SHARP & DOHME LTD. (GB) | 1997-03-11 | — | — | US | disclosed |
| EP-0593615-B1 | AROMATIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME (GB) | 1996-01-31 | — | — | EP | disclosed |
| WO-1993001165-A2 | AROMATIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 1993-01-21 | — | — | WO | disclosed |