Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | TYR | P14679 | 3/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4865259 | 0.92 | ALDH1A1 (0.48) | ALDH1A1AKR1C3TDP1TSHRPTGS2 | |
| 4-Vinylphenol SCHEMBL4384304 | 0.86 | ALDH1A1 (0.52) | ALDH1A1KDM4ETYRESR1ESR2 | |
| Hydroquinone SCHEMBL7457994 | 0.86 | AKR1C3 (0.46) | ALDH1A1KDM4ETYRESR1ESR2 | |
| SCHEMBL10695305 | 0.85 | AKR1C3 (0.41) | ALDH1A1KDM4EPKMAKR1C3CYP3A4 | |
| 4-Vinylphenol SCHEMBL4385918 | 0.85 | ALDH1A1 (0.47) | ALDH1A1KDM4ETYRESR1ESR2 | |
| Styrene SCHEMBL238869 | 0.85 | AKR1C3 (0.59) | ALDH1A1AKR1C3HCAR2CYP2D6CYP2C9 | |
| Styrene SCHEMBL134355 | 0.85 | AKR1C3 (0.59) | ALDH1A1AKR1C3HCAR2CYP2D6CYP2C9 | |
| 4-Vinylphenol SCHEMBL28941792 | 0.82 | ALDH1A1 (0.55) | ALDH1A1KDM4ETYRESR1ESR2 | |
| Styrene SCHEMBL1126458 | 0.81 | AKR1C3 (0.55) | ALDH1A1AKR1C3HCAR2CYP2C9TDP1 | |
| Styrene SCHEMBL93464 | 0.81 | AKR1C3 (0.55) | ALDH1A1AKR1C3HCAR2CYP2C9TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5932392-A | LIGHT SENSITIVE LAYER CONTAINING A COMPOUND CAPABLE OF GENERATING AN ACID ON EXPOSURE OF INFRARED RAYS, A RESOL RESIN, AN UNSATURATED RESIN CONTAINING A MONOMER UNIT WITH A PHENOLIC HYDROXY GROUP, AND AN INFRARED ABSORBER | KONICA CORPORATION (JP) | 1999-08-03 | — | — | US | disclosed |