Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ADH1B | P00325 | 1/20 | 0.34 |
| ▸ | ADH1C | P00326 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 1/20 | 0.34 |
| ▸ | ADH4 | P08319 | 1/20 | 0.34 |
| ▸ | ADH7 | P40394 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL6974106 | 0.98 | CYP1A2 (0.40) | CYP1A2ADH1BADH1CADH1AADH4 | |
| SCHEMBL5856447 | 0.91 | — | — | |
| SCHEMBL6965412 | 0.88 | CYP1A2 (0.43) | CYP1A2ADH1BADH1CADH1AADH4 | |
| SCHEMBL6970036 | 0.86 | CYP1A2 (0.47) | CYP1A2ADH1BADH1CADH1AADH4 | |
| SCHEMBL6963822 | 0.82 | ADH1B (0.37) | CYP1A2ADH1BADH1CADH1AADH4 | |
| SCHEMBL6967857 | 0.80 | ADH1B (0.40) | CYP1A2ADH1BADH1CADH1AADH4 | |
| SCHEMBL131770 | 0.70 | ADH1B (0.43) | CYP1A2ADH1BADH1CADH1AADH4 | |
| SCHEMBL5183587 | 0.70 | TDP1 (0.30) | — | |
| SCHEMBL15296318 | 0.67 | — | — | |
| SCHEMBL985636 | 0.67 | SIGMAR1 (0.42) | CYP1A2EPHX1SIGMAR1 |
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-0870765-B1 | AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS | ZERIA PHARM CO LTD (JP) | 2003-11-19 | — | — | EP | disclosed |
| US-5981557-A | HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 1999-11-09 | — | — | US | disclosed |
| EP-0870765-A1 | AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 1998-10-14 | — | — | EP | disclosed |