Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Pentachlorophenol. 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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.39 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.37 |
| ▸ | CA6 | P23280 | 3/20 | 0.37 |
| ▸ | CA7 | P43166 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Pentachlorophenol SCHEMBL2398810 | 1.00 | CYP1A2 (0.44) | CYP1A2CYP2C9TSHRCYP2C19HIF1A | |
| Pentachlorophenol SCHEMBL246699 | 0.98 | CYP1A2 (0.46) | CYP1A2CYP2C9TSHRCYP2C19HIF1A | |
| Pentachlorophenol SCHEMBL5378694 | 0.88 | CYP1A2 (0.48) | CYP1A2CYP2C9TSHRCYP2C19HIF1A | |
| Pentachlorophenol SCHEMBL963480 | 0.86 | CA12 (0.50) | CYP1A2CYP2C9TSHRCYP2C19HIF1A | |
| Pentachlorophenol SCHEMBL1528129 | 0.84 | CYP1A2 (0.48) | CYP1A2CYP2C9TSHRCYP2C19HIF1A | |
| Pentachlorophenol SCHEMBL20484423 | 0.84 | CYP1A2 (0.48) | CYP1A2CYP2C9TSHRCYP2C19HIF1A | |
| Acetic Acid SCHEMBL5883453 | 0.82 | CA12 (0.56) | CYP1A2CYP2C9TSHRCYP2C19PAOX | |
| Acetic Acid SCHEMBL4241285 | 0.82 | CA12 (0.56) | CYP1A2CYP2C9TSHRCYP2C19PAOX | |
| Acetic Acid SCHEMBL356286 | 0.82 | CA12 (0.56) | CYP1A2CYP2C9TSHRCYP2C19PAOX | |
| Pentachlorophenol SCHEMBL1990677 | 0.81 | CYP1A2 (0.40) | CYP1A2CYP2C9TSHRCYP2C19HIF1A |
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-0844528-A1 | Image-forming method | KONICA CORPORATION (JP) | 1998-05-27 | — | — | EP | disclosed |