Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8137391 | 0.94 | ALDH1A1 (0.33) | ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL3955625 | 0.68 | — | — | |
| SCHEMBL5988353 | 0.67 | DPP4 (0.39) | ALDH1A1 | |
| SCHEMBL1605302 | 0.64 | EPHX2 (0.41) | — | |
| SCHEMBL11119678 | 0.64 | FAAH (0.63) | ALDH1A1CYP2C19 | |
| SCHEMBL3068271 | 0.64 | PKM (0.53) | CYP1A2ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL13977175 | 0.64 | EPHX1 (0.42) | ALDH1A1 | |
| SCHEMBL6806068 | 0.64 | — | — | |
| SCHEMBL6798027 | 0.64 | — | — | |
| SCHEMBL10351100 | 0.62 | EPHX2 (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1028961-A1 | PLEUROMUTILIN DERIVATIVES AS ANTIMICROBIALS | SMITHKLINE BEECHAM PLC (GB) | 2000-08-23 | — | — | EP | disclosed |
| WO-1999021855-A1 | PLEUROMUTILIN DERIVATIVES AS ANTIMICROBIALS | SMITHKLINE BEECHAM P.L.C. (GB) | 1999-05-06 | — | — | WO | disclosed |