Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Pentachlorobenzene. 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 | |
|---|---|---|---|---|
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.38 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.38 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.38 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.38 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.38 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.38 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.38 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.85 |
| ▸ | HPGD | P15428 | 6/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.53 |
| ▸ | TSHR | P16473 | 6/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CRHBP | P24387 | 1/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 9/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| Pentachlorobenzene SCHEMBL11455164 | 0.92 | CYP3A4 (1.00) | CYP3A4HPGDHSD17B10TSHRMAPK1 | |
| Pentachlorobenzene SCHEMBL183144 | 0.92 | CYP3A4 (1.00) | CYP3A4HPGDHSD17B10TSHRMAPK1 | |
| Pentachlorobenzene SCHEMBL27699552 | 0.88 | CYP3A4 (0.92) | CYP3A4HPGDHSD17B10TSHRMAPK1 | |
| Pentachlorobenzene SCHEMBL28280575 | 0.88 | CYP3A4 (0.92) | CYP3A4HPGDHSD17B10TSHRMAPK1 | |
| Pentachlorobenzene SCHEMBL27458674 | 0.88 | CYP3A4 (0.92) | CYP3A4HPGDHSD17B10TSHRMAPK1 | |
| Pentachlorobenzene SCHEMBL27484054 | 0.88 | CYP3A4 (0.92) | CYP3A4HPGDHSD17B10TSHRMAPK1 | |
| Pentachlorobenzene SCHEMBL29897265 | 0.88 | CYP3A4 (0.92) | CYP3A4HPGDHSD17B10TSHRMAPK1 | |
| Pentachlorobenzene SCHEMBL27732715 | 0.88 | CYP3A4 (0.92) | CYP3A4HPGDHSD17B10TSHRMAPK1 | |
| Pentachlorobenzene SCHEMBL1445743 | 0.88 | CYP3A4 (0.92) | CYP3A4HPGDHSD17B10TSHRMAPK1 | |
| Pentachlorobenzene SCHEMBL27460676 | 0.88 | CYP3A4 (0.92) | CYP3A4HPGDHSD17B10TSHRMAPK1 |
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 173 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101060781-A | Fungicidal compositions | SYNGENTA PARTICIPATIONS AG (CH) | 2007-10-24 | — | — | CN | claimed |
| CN-101035432-A | Synergistic fungicidal compositions | SYNGENTA CROP PROT INC (CH) | 2007-09-12 | — | — | CN | claimed |
| CN-101001527-A | Fungicidal compositions | SYNGENTA PARTICIPATIONS AG (CH) | 2007-07-18 | — | — | CN | claimed |
| CN-110536886-A | Kill harmful organism activity Cvclopropvlmethvl amide derivatives | SYNGENTA PARTICIPATIONS AG | 2019-12-03 | — | — | CN | disclosed |
| CN-110526911-A | Harmful organism active heterocycles derivative is killed with sulfur-bearing substituent group | SYNGENTA PARTICIPATIONS AG | 2019-12-03 | — | — | CN | disclosed |
| CN-110506040-A | Kill the oxadiazole derivatives of microorganism | SYNGENTA PARTICIPATIONS AG | 2019-11-26 | — | — | CN | disclosed |
| CN-110461159-A | Fungicidal compositions | SYNGENTA PARTICIPATIONS AG | 2019-11-15 | — | — | CN | disclosed |
| CN-110392683-A | Kill the oxadiazole derivatives of microorganism | 先正达参股股份有限公司 | 2019-10-29 | — | — | CN | disclosed |
| CN-110382492-A | Microbicidal oxadiazole derivatives | 先正达参股股份有限公司 | 2019-10-25 | — | — | CN | disclosed |
| CN-110312707-A | Pesticidally active heterocyclic derivatives with sulphur containing substituents | 先正达参股股份有限公司 | 2019-10-08 | — | — | CN | disclosed |
| CN-107001365-B | Pesticidally active heterocyclic derivatives with sulphur containing substituents | 先正达参股股份有限公司 | 2019-09-24 | — | — | CN | disclosed |
| CN-101426779-A | Pesticide containing bicyclic bisamide structure | SYNGENTA PARTICIPATIONS AG (CH) | 2009-05-06 | — | — | CN | disclosed |
| CN-101394742-A | Anthranilamide derivatives and their use for the control of insects and acari | SYNGENTA PARTICIPATIONS AG (CH) | 2009-03-25 | — | — | CN | disclosed |
| CN-101273029-A | Bicyclic bisamide derivatives and their use as pesticides | SYNGENTA PARTICIPATIONS AG (CH) | 2008-09-24 | — | — | CN | disclosed |
| CN-101184747-A | Cyano anthranilamide insecticides | SYNGENTA PARTICIPATIONS AG (CH) | 2008-05-21 | — | — | CN | disclosed |
| CN-101098864-A | Anthranilamide derivatives as insecticides | SYNGENTA PARTICIPATIONS AG (CH) | 2008-01-02 | — | — | CN | disclosed |
| CN-101061110-A | Novel insecticides | SYNGENTA PARTICIPATIONS AG (CH) | 2007-10-24 | — | — | CN | disclosed |
| CN-101001525-A | Pesticidal mixtures | SYNGENTA PARTICIPATIONS AG (CH) | 2007-07-18 | — | — | CN | disclosed |
| CN-1253082-C | Fungicidal compositions and use of such compositions for controlling plant diseases | BAYER CROPSCIENCE SA (FR) | 2006-04-26 | — | — | CN | disclosed |
| CN-1535112-A | Fungicidal compositions and use of such compositions for controlling plant diseases | �ݶ�ũ�ƹɷ�����˾ | 2004-10-06 | — | — | CN | disclosed |