Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | HSD17B3 | P37058 | 3/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | GLA | P06280 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL28594893 | 0.85 | HDAC3 (0.54) | ALDH1A1HSD17B3ALOX5CES2CES1 | |
| Phenol SCHEMBL2369589 | 0.84 | HDAC3 (0.59) | ALDH1A1HSD17B3ALOX5CES2CES1 | |
| Phenol SCHEMBL28578978 | 0.84 | TDP1 (0.55) | ALDH1A1HSD17B3ALOX5CES2CES1 | |
| Phenol SCHEMBL17729895 | 0.84 | TDP1 (0.55) | ALDH1A1ALOX5CES2CES1GLA | |
| Phenol SCHEMBL9422361 | 0.84 | TDP1 (0.55) | ALDH1A1ALOX5CES2CES1GLA | |
| Phenol SCHEMBL28682879 | 0.83 | CES1 (0.55) | ALDH1A1HSD17B3ALOX5CES2CES1 | |
| Toluene SCHEMBL10801285 | 0.83 | ALDH1A1 (0.52) | ALDH1A1ALOX5CES2CES1TDP1 | |
| Phenol SCHEMBL4330747 | 0.83 | ALDH1A1 (0.52) | ALDH1A1ALOX5CES2CES1GLA | |
| Toluene SCHEMBL215688 | 0.83 | ALDH1A1 (0.52) | ALDH1A1ALOX5CES2CES1TDP1 | |
| Phenol SCHEMBL11482343 | 0.83 | HDAC3 (0.56) | ALDH1A1HSD17B3ALOX5CES2CES1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106186146-A | Methyl propyl ketone application in processing the highly concentrated phenol wastewater of Coal Chemical Industry | 华南理工大学 | 2016-12-07 | — | — | CN | claimed |
| CN-106186146-A | Methyl propyl ketone application in processing the highly concentrated phenol wastewater of Coal Chemical Industry | 华南理工大学 | 2016-12-07 | — | — | CN | disclosed |
| CN-106186146-A | Methyl propyl ketone application in processing the highly concentrated phenol wastewater of Coal Chemical Industry | 华南理工大学 | 2016-12-07 | — | — | CN | disclosed |