Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Trifluoromethylbenzene. 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 | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.43 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.42 |
| ▸ | IDH2 known ✓ | P48735 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.93 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.93 |
| ▸ | KIF11 | P52732 | 4/20 | 0.65 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.43 |
| ▸ | ACP3 | P15309 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Trifluoromethylbenzene SCHEMBL14121438 | 1.00 | TSHR (0.93) | TSHRALDH1A1KIF11TRPV6CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL175647 | 0.97 | TSHR (1.00) | TSHRALDH1A1KIF11TRPV6CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL27760126 | 0.97 | TSHR (1.00) | TSHRALDH1A1KIF11TRPV6CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL8692 | 0.97 | TSHR (1.00) | TSHRALDH1A1KIF11TRPV6CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL31017025 | 0.93 | TSHR (0.93) | TSHRALDH1A1KIF11TRPV6CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL7870246 | 0.93 | TSHR (0.93) | TSHRALDH1A1KIF11TRPV6CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL14121761 | 0.93 | TSHR (0.93) | TSHRALDH1A1KIF11TRPV6CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL31493124 | 0.93 | TSHR (0.93) | TSHRALDH1A1KIF11TRPV6CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL22806921 | 0.93 | TSHR (0.93) | TSHRALDH1A1KIF11TRPV6CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL9482280 | 0.93 | TSHR (0.93) | TSHRALDH1A1KIF11TRPV6CYP19A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2318379-A1 | METHOD FOR PREPARATION OF PIPERAZINDIONE DERIVATES | BASF SE (DE) | 2011-05-11 | — | — | EP | disclosed |
| WO-2010018067-A1 | METHOD FOR PREPARATION OF PIPERAZINDIONE DERIVATES | BASF SE (DE) | 2010-02-18 | — | — | WO | disclosed |
| EP-1122244-B1 | Uracil compounds and their use | SUMITOMO CHEMICAL CO (JP) | 2004-09-29 | — | — | EP | disclosed |
| EP-1122244-A1 | Uracil compounds and their use | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2001-08-08 | — | — | EP | disclosed |