Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 11/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | HSP90AB1 | P08238 | 10/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30016662 | 0.82 | ERN1 (0.55) | CYP3A4CYP2C9CYP2B6CYP2C19ALOX5 | |
| SCHEMBL28702735 | 0.82 | HSP90AA1 (0.46) | HSP90AA1CYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL16116987 | 0.82 | SMN1; SMN2 (0.51) | HSP90AA1CYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL18309184 | 0.81 | CYP2A6 (0.50) | CYP3A4CYP2C9CYP2B6CYP2C19ALOX5 | |
| SCHEMBL15322586 | 0.81 | HSP90AA1 (0.47) | HSP90AA1CYP3A4CYP2C9CYP2C19HSP90AB1 | |
| SCHEMBL21363250 | 0.80 | HSP90AA1 (0.64) | HSP90AA1HSP90AB1ALOX5ALDH1A1 | |
| SCHEMBL15323584 | 0.80 | HSP90AA1 (0.50) | HSP90AA1CYP3A4CYP2C9CYP2C19HSP90AB1 | |
| SCHEMBL1491549 | 0.80 | CYP2A6 (0.64) | CYP3A4CYP2C9CYP2B6CYP2C19CYP2A6 | |
| SCHEMBL13847779 | 0.78 | HSP90AA1 (0.43) | HSP90AA1CYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL2737367 | 0.77 | USP1 (0.50) | CYP3A4CYP2C9CYP2B6CYP2C19CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009066060-A2 | 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE | TOPOTARGET A/S (DK) | 2009-05-28 | — | — | WO | disclosed |
| WO-2009066060-A2 | 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE | TOPOTARGET A/S (DK) | 2009-05-28 | — | — | WO | disclosed |