Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
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 | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.83 |
| ▸ | TSHR | P16473 | 7/20 | 0.83 |
| ▸ | HPGD | P15428 | 7/20 | 0.83 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.83 |
| ▸ | MEN1 | O00255 | 2/20 | 0.83 |
| ▸ | LMNA | P02545 | 2/20 | 0.83 |
| ▸ | MAPT | P10636 | 2/20 | 0.83 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.83 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
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 SCHEMBL3345544 | 0.96 | HSD17B10 (0.91) | HSD17B10TSHRHPGDALDH1A1MEN1 | |
| Pentachlorophenol SCHEMBL11459279 | 0.96 | HSD17B10 (0.91) | HSD17B10TSHRHPGDALDH1A1MEN1 | |
| Pentachlorophenol SCHEMBL15329277 | 0.92 | HSD17B10 (0.83) | HSD17B10TSHRHPGDALDH1A1MEN1 | |
| Pentachlorophenol SCHEMBL9824615 | 0.92 | HSD17B10 (0.83) | HSD17B10TSHRHPGDALDH1A1MEN1 | |
| Pentachlorophenol SCHEMBL23121452 | 0.91 | HSD17B10 (1.00) | HSD17B10TSHRHPGDALDH1A1MEN1 | |
| Pentachlorophenol SCHEMBL1492 | 0.91 | HSD17B10 (1.00) | HSD17B10TSHRHPGDALDH1A1MEN1 | |
| Perchlorobenzene SCHEMBL28269084 | 0.91 | HSD17B10 (1.00) | HSD17B10TSHRHPGDALDH1A1MEN1 | |
| Pentachlorophenol SCHEMBL1330735 | 0.91 | HSD17B10 (1.00) | HSD17B10TSHRHPGDALDH1A1MEN1 | |
| Pentachlorophenol SCHEMBL5315995 | 0.91 | HSD17B10 (1.00) | HSD17B10TSHRHPGDALDH1A1MEN1 | |
| Pentachlorophenol SCHEMBL21177789 | 0.87 | HSD17B10 (0.91) | HSD17B10TSHRHPGDALDH1A1MEN1 |
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-5478671-A | Anode mixture of transition and lithium oxide | FUJI PHOTO FILM CO., LTD. (JP) | 1995-12-26 | — | — | US | disclosed |