Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Parachlorophenol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | RECQL | P46063 | 2/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Parachlorophenol SCHEMBL29039840 | 0.97 | MAPK1 (0.58) | MAPK1LMNAALDH1A1CYP3A4HPGD | |
| 1,4-Dichlorobenzene SCHEMBL19739061 | 0.89 | ALDH1A1 (0.55) | MAPK1LMNAALDH1A1CYP3A4ALOX15 | |
| Parachlorophenol SCHEMBL1045637 | 0.86 | MAPK1 (0.58) | MAPK1LMNAALDH1A1CYP3A4HPGD | |
| Parachlorophenol SCHEMBL28443585 | 0.86 | MAPK1 (0.48) | MAPK1LMNAALDH1A1CYP3A4HPGD | |
| Parachlorophenol SCHEMBL29092795 | 0.86 | MAPK1 (0.48) | MAPK1LMNAALDH1A1CYP3A4HPGD | |
| 1,4-Dichlorobenzene SCHEMBL2727174 | 0.86 | ALDH1A1 (0.58) | MAPK1LMNAALDH1A1CYP3A4ALOX15 | |
| Hydroquinone SCHEMBL28381927 | 0.86 | LMNA (0.63) | LMNAALDH1A1CYP3A4HPGDALOX15 | |
| Parachlorophenol SCHEMBL6012166 | 0.86 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL28859925 | 0.86 | ALDH1A1 (0.58) | MAPK1LMNAALDH1A1CYP3A4ALOX15 | |
| Parachlorophenol SCHEMBL28045156 | 0.86 | MAPK1 (0.62) | MAPK1LMNAALDH1A1CYP3A4HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-105744983-B | Device and method for sustained release of therapeutic agents of low water solubility in solubilizing agents | 纳米医学系统公司 | 2019-12-27 | — | — | CN | disclosed |