Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Benzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.36 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.36 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | PTPRC | P08575 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL9502651 | 0.95 | CA2 (0.36) | CA2CA9CA12CA1CA7 | |
| SCHEMBL131938 | 0.93 | RECQL (0.37) | CA2CA9CA12CA1CA7 | |
| SCHEMBL62283 | 0.93 | — | — | |
| Water SCHEMBL10588110 | 0.91 | RECQL (0.35) | CA2CA9CA12CA1CA7 | |
| Methane SCHEMBL28948869 | 0.91 | RECQL (0.35) | CA2CA9CA12CA1CA7 | |
| Sulfuric Acid SCHEMBL8733611 | 0.91 | RECQL (0.35) | CA2CA9CA12CA1CA7 | |
| SCHEMBL10754911 | 0.88 | CA2 (0.35) | CA2CA9CA12CA1CA7 | |
| Lithium Ion SCHEMBL2540922 | 0.88 | — | — | |
| SCHEMBL2537774 | 0.88 | — | — | |
| SCHEMBL2546488 | 0.88 | — | — |
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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116730769-A | Ammonium chloride anti-caking agent | 安徽天膜科技有限公司 | 2023-09-12 | — | — | CN | claimed |
| CN-114149871-A | Biological environment-friendly oil stain cleaning agent with fire extinguishing function and preparation method and application thereof | 南京军科超材科技有限公司 | 2022-03-08 | — | — | CN | claimed |
| US-11046922-B1 | 2-in-1 unit dose providing softening and detergency | Henkel IP & Holding GmbH (DE) | 2021-06-29 | — | — | US | claimed |
| US-20210179982-A1 | 2-in-1 Unit Dose Providing Softening And Detergency | Henkel IP & Holding GmbH (DE) | 2021-06-17 | — | — | US | claimed |
| CN-112608718-A | Anti-slip agent | 郑州聚砼汇实业有限公司 | 2021-04-06 | — | — | CN | claimed |
| US-10806143-B2 | Herbicidal composition in granular form | FMC CORPORATION (US) | 2020-10-20 | — | — | US | claimed |
| CN-111100227-A | Propylene polymerization method and device | 中国石油化工股份有限公司 | 2020-05-05 | — | — | CN | claimed |
| CN-108203579-B | Nitrogen foam gel plugging agent and preparation method and application thereof | 中国石油天然气股份有限公司 | 2020-03-10 | — | — | CN | claimed |
| US-20060160707-A1 | Aluminum metal machining fluid lubricating concentrate | STEVEN E. RAYFIELD. | 2006-07-20 | — | — | US | claimed |
| EP-1241649-B1 | Composition for use in the testing of smoke detectors | NO CLIMB PRODUCTS LTD (GB) | 2005-05-11 | — | — | EP | claimed |
| EP-1241649-A2 | Composition for use in the testing of smoke detectors | No Climb Products Limited (GB) | 2002-09-18 | — | — | EP | claimed |
| EP-0530708-B1 | Liquid laundry detergent compositions | ALBRIGHT & WILSON UK LTD (GB) | 1997-01-22 | — | — | EP | claimed |
| US-4537708-A | SODIUM POLYPHOSPHATED AND ANIONIC SURFACTANT | FMC CORPORATION (US) | 1985-08-27 | — | — | US | claimed |
| CN-116730769-A | Ammonium chloride anti-caking agent | 安徽天膜科技有限公司 | 2023-09-12 | — | — | CN | disclosed |
| CN-116730769-A | Ammonium chloride anti-caking agent | 安徽天膜科技有限公司 | 2023-09-12 | — | — | CN | disclosed |
| CN-219424639-U | Cyclone separator for washing powder production | 安徽铭志化工设备工程有限公司 | 2023-07-28 | — | — | CN | disclosed |
| US-4729940-A | Method of manufacturing master for optical information carrier | CBS INC. (US) | 1988-03-08 | — | — | US | disclosed |
| US-4544494-A | Homogeneous laundry detergent slurries containing amphoteric surface-active agents | FMC CORPORATION (US) | 1985-10-01 | — | — | US | disclosed |
| US-4537708-A | SODIUM POLYPHOSPHATED AND ANIONIC SURFACTANT | FMC CORPORATION (US) | 1985-08-27 | — | — | US | disclosed |
| US-3935868-A | Hair setting process | THE PROCTER & GAMBLE COMPANY (US) | 1976-02-03 | — | — | US | disclosed |