Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 5/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL7064692 | 0.91 | GABRA1 (0.33) | ALDH1A1CYP3A4CYP1A2CYP2C9LMNA | |
| SCHEMBL7133153 | 0.88 | MAOA (0.33) | ALDH1A1CYP3A4CYP1A2CYP2C9LMNA | |
| SCHEMBL7066720 | 0.88 | FDPS (0.31) | ALDH1A1CYP3A4CYP1A2CYP2C9LMNA | |
| SCHEMBL7067810 | 0.84 | ALDH1A1 (0.39) | ALDH1A1CYP3A4CYP1A2CYP2C9LMNA | |
| SCHEMBL6588666 | 0.80 | ALDH1A1 (0.35) | ALDH1A1CYP3A4CYP1A2CYP2C9LMNA | |
| SCHEMBL6588660 | 0.80 | ALDH1A1 (0.35) | ALDH1A1CYP3A4CYP1A2CYP2C9LMNA | |
| SCHEMBL6589192 | 0.78 | ALDH1A1 (0.35) | ALDH1A1CYP3A4CYP1A2CYP2C9LMNA | |
| SCHEMBL21632755 | 0.78 | ESR1 (0.34) | ALDH1A1CYP3A4CYP1A2CYP2C9LMNA | |
| SCHEMBL6586417 | 0.78 | ALDH1A1 (0.34) | ALDH1A1CYP3A4CYP1A2CYP2C9LMNA | |
| SCHEMBL6589188 | 0.78 | ALDH1A1 (0.35) | ALDH1A1CYP3A4CYP1A2CYP2C9LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0995737-B1 | Process for producing 3,3,5-trimethylcyclohexylidenebisphenols | HONSHU CHEMICAL IND (JP) | 2003-06-04 | — | — | EP | disclosed |