Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Toluene. 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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 3/20 | 0.35 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.35 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 5/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL28846189 | 0.84 | ACHE (0.79) | ACHETSHRALOX12LMNAHPGD | |
| Phenol SCHEMBL22191 | 0.84 | — | — | |
| Phenol SCHEMBL29843261 | 0.84 | TDP1 (0.41) | ACHETSHRALOX12LMNAHPGD | |
| Phenol SCHEMBL6902664 | 0.84 | TDP1 (0.41) | ACHETSHRALOX12LMNAHPGD | |
| Phenol SCHEMBL27899405 | 0.84 | TDP1 (0.41) | ACHETSHRALOX12LMNAHPGD | |
| Toluene SCHEMBL7645369 | 0.81 | — | — | |
| Toluene SCHEMBL700754 | 0.81 | — | — | |
| Toluene SCHEMBL9806869 | 0.81 | — | — | |
| Toluene SCHEMBL17825900 | 0.81 | — | — | |
| Phenol SCHEMBL6366351 | 0.81 | TDP1 (0.39) | ACHETSHRALOX12LMNAHPGD |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108471745-A | Aqueous dispersion comprising aclonifen and flufenacet | 拜耳作物科学股份公司 | 2018-08-31 | — | — | CN | disclosed |
| CN-106229548-A | Lithium battery electrolytes | 凯思普科技有限责任公司 | 2016-12-14 | — | — | CN | disclosed |
| CN-106159327-A | Lithium rechargeable battery | 凯思普科技有限责任公司 | 2016-11-23 | — | — | CN | disclosed |
| US-7247666-B2 | Flame retardant resin composition | MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) | 2007-07-24 | — | — | US | disclosed |
| EP-1160276-B1 | Flame retardant resin composition | MITSUBISHI ENG PLASTICS CORP (JP) | 2004-01-02 | — | — | EP | disclosed |
| US-20020198295-A1 | Flame retardant resin composition | MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) | 2002-12-26 | — | — | US | disclosed |
| EP-1160276-A1 | Flame retardant resin composition | MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) | 2001-12-05 | — | — | EP | disclosed |