Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.40 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.40 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Methyl Isobutyl Ketone SCHEMBL8028996 | 0.81 | ALDH1A1 (0.58) | CYP3A4ALDH1A1TDP1TSHR | |
| Isopropyl Alcohol SCHEMBL28141271 | 0.81 | CYP3A4 (0.77) | CYP3A4TSHRLPAR3LPAR1LPAR2 | |
| Acetic Acid SCHEMBL28118211 | 0.81 | CYP3A4 (0.77) | CYP3A4ALDH1A1TSHRLPAR3LPAR1 | |
| Bicarbonate SCHEMBL28559959 | 0.78 | CYP3A4 (0.81) | CYP3A4ALDH1A1TSHRLPAR3LPAR1 | |
| Bicarbonate SCHEMBL28241382 | 0.78 | CYP3A4 (0.81) | CYP3A4ALDH1A1TSHRLPAR3LPAR1 | |
| Methyl Alcohol SCHEMBL28748149 | 0.78 | CYP3A4 (0.90) | CYP3A4TSHRLPAR3LPAR1LPAR2 | |
| Hydrogen Peroxide SCHEMBL27283190 | 0.78 | CYP3A4 (0.90) | CYP3A4TSHRLPAR3LPAR1LPAR2 | |
| Methyl Isobutyl Ketone SCHEMBL2340589 | 0.78 | ALDH1A1 (0.74) | ALDH1A1TDP1 | |
| Methyl Isobutyl Ketone SCHEMBL5000849 | 0.78 | ALDH1A1 (0.74) | ALDH1A1TDP1 | |
| SCHEMBL1020179 | 0.78 | CYP3A4 (1.00) | CYP3A4TSHRLPAR3LPAR1LPAR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-220376516-U | Treatment system for deep processing of phenol-containing wastewater from coal tar | 宁夏宝利科技设计研究院有限公司 | 2024-01-23 | — | — | CN | disclosed |
| CN-105198029-A | Extraction treatment method for 2, 4-dichloro-3, 5-dimethylphenol waste water | UNIV HUNAN | 2015-12-30 | — | — | CN | disclosed |