Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.51 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.51 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.51 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.51 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.51 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.51 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.51 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.51 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.51 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.51 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.51 |
| ▸ | CYP4F8 | P98187 | 1/20 | 0.51 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4061682 | 0.84 | CYP2D6 (0.53) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4240188 | 0.79 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL196689 | 0.75 | CYP1A1 (0.69) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29589241 | 0.75 | CYP1A1 (0.69) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL397069 | 0.74 | ALDH1A1 (0.56) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28744370 | 0.74 | CYP3A4 (0.56) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9272421 | 0.73 | CYP1A2 (0.63) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11141909 | 0.73 | PTGS1 (0.45) | CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL28280300 | 0.72 | HDAC4 (0.55) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL682768 | 0.71 | CA12 (0.58) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 |
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 1 patent. 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 |