Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.42 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PLOD1 | Q02809 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | RORC | P51449 | 2/20 | 0.42 |
| ▸ | RPS6KA5 | O75582 | 4/20 | 0.41 |
| ▸ | AKT1 | P31749 | 4/20 | 0.41 |
| ▸ | GSK3B | P49841 | 4/20 | 0.41 |
| ▸ | PRKCD | Q05655 | 4/20 | 0.41 |
| ▸ | PRKG2 | Q13237 | 4/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.41 |
| ▸ | PRKG1 | Q13976 | 4/20 | 0.41 |
| ▸ | PKN2 | Q16513 | 4/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15949098 | 0.89 | ALDH1A1 (0.43) | ALDH1A1PLOD2PLOD3CYP1A2CYP3A4 | |
| SCHEMBL362642 | 0.85 | GPBAR1 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL369688 | 0.85 | GPBAR1 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL369687 | 0.85 | GPBAR1 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL15949170 | 0.81 | CYP17A1 (0.44) | ALDH1A1RORCNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL15949140 | 0.81 | CTSS (0.46) | RORC | |
| SCHEMBL369594 | 0.81 | ALDH1A1 (0.61) | ALDH1A1PLOD2PLOD3CYP1A2CYP3A4 | |
| SCHEMBL15949109 | 0.80 | HPGD (0.46) | ALDH1A1PLOD2PLOD3CYP1A2CYP3A4 | |
| SCHEMBL15949141 | 0.80 | PLOD2 (0.46) | ALDH1A1PLOD2PLOD3CYP1A2CYP3A4 | |
| SCHEMBL15949055 | 0.78 | GPBAR1 (0.48) | ALDH1A1PLOD2PLOD3CYP1A2CYP3A4 |
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-2593426-B1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | HOFFMANN LA ROCHE (CH) | 2014-08-20 | — | — | EP | claimed |