Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | ADH1B | P00325 | 1/20 | 0.50 |
| ▸ | ADH1C | P00326 | 1/20 | 0.50 |
| ▸ | ADH1A | P07327 | 1/20 | 0.50 |
| ▸ | ADH4 | P08319 | 1/20 | 0.50 |
| ▸ | ADH7 | P40394 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | GLB1 | P16278 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25833993 | 1.00 | CYP2D6 (0.50) | CYP2D6ADH1BADH1CADH1AADH4 | |
| SCHEMBL25866853 | 1.00 | CYP2D6 (0.50) | CYP2D6ADH1BADH1CADH1AADH4 | |
| SCHEMBL6968624 | 0.97 | — | — | |
| SCHEMBL1678544 | 0.83 | ADH1B (0.59) | CYP2D6ADH1BADH1CADH1AADH4 | |
| SCHEMBL1679033 | 0.83 | ADH1B (0.59) | CYP2D6ADH1BADH1CADH1AADH4 | |
| SCHEMBL1679102 | 0.83 | ADH1B (0.59) | CYP2D6ADH1BADH1CADH1AADH4 | |
| SCHEMBL1678338 | 0.80 | ADH1B (0.56) | CYP2D6ADH1BADH1CADH1AADH4 | |
| SCHEMBL1678148 | 0.80 | ADH1B (0.56) | CYP2D6ADH1BADH1CADH1AADH4 | |
| SCHEMBL1679343 | 0.80 | ADH1B (0.56) | CYP2D6ADH1BADH1CADH1AADH4 | |
| SCHEMBL22210655 | 0.80 | CYP2D6 (0.47) | CYP2D6ADH1BADH1CADH1AADH4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7429667-B2 | Phenylamino isothiazole carboxamidines as MEK inhibitors | ARDEA BIOSCIENCES, INC. (US) | 2008-09-30 | — | — | US | disclosed |
| 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 |