Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.46 |
| ▸ | CYP19A1 known ✓ | P11511 | 1/20 | 0.45 |
| ▸ | GRIN2B known ✓ | Q13224 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.82 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.82 |
| ▸ | KIF11 | P52732 | 4/20 | 0.59 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 4/20 | 0.47 |
| ▸ | TDO2 | P48775 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 SCHEMBL28143223 | 0.97 | TSHR (0.88) | TSHRALDH1A1KIF11TRPV6MAPK1 | |
| Trifluoromethylbenzene SCHEMBL27490712 | 0.94 | TSHR (0.93) | TSHRALDH1A1KIF11TRPV6MAPK1 | |
| Trifluoromethylbenzene SCHEMBL6648208 | 0.94 | TSHR (0.93) | TSHRALDH1A1KIF11TRPV6MAPK1 | |
| Trifluoromethylbenzene SCHEMBL175647 | 0.91 | TSHR (1.00) | TSHRALDH1A1KIF11TRPV6MAPK1 | |
| Trifluoromethylbenzene SCHEMBL27760126 | 0.91 | TSHR (1.00) | TSHRALDH1A1KIF11TRPV6MAPK1 | |
| Trifluoromethylbenzene SCHEMBL8692 | 0.91 | TSHR (1.00) | TSHRALDH1A1KIF11TRPV6MAPK1 | |
| Trifluoromethylbenzene SCHEMBL11580827 | 0.88 | TSHR (0.82) | TSHRALDH1A1KIF11TRPV6MAPK1 | |
| Trifluoromethylbenzene SCHEMBL3981717 | 0.88 | TSHR (0.82) | TSHRALDH1A1KIF11TRPV6MAPK1 | |
| Trifluoromethylbenzene SCHEMBL7870246 | 0.88 | TSHR (0.93) | TSHRALDH1A1KIF11TRPV6MAPK1 | |
| Trifluoromethylbenzene SCHEMBL22806921 | 0.88 | TSHR (0.93) | TSHRALDH1A1KIF11TRPV6MAPK1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108129040-A | A kind of portland cement and preparation method thereof | 天津山水水泥有限公司 | 2018-06-08 | — | — | CN | claimed |
| CN-109516955-A | Nitrogenous five-membered aromatic heterocyclic compounds and its preparation method and application | 华东师范大学 | 2019-03-26 | — | — | CN | disclosed |
| CN-107663160-B | A kind of continuous flow synthesis technology of 4- chlorobenzene hydrazonium salt | 上海惠和化德生物科技有限公司 | 2019-03-01 | — | — | CN | disclosed |
| CN-108129040-A | A kind of portland cement and preparation method thereof | 天津山水水泥有限公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-107663161-A | A kind of continuous stream synthesis technique of phenylhydrazine salt and substituted benzene hydrazonium salt | 上海惠和化德生物科技有限公司 | 2018-02-06 | — | — | CN | disclosed |
| CN-107663160-A | A kind of continuous stream synthesis technique of 4 chlorobenzene hydrazonium salt | 上海惠和化德生物科技有限公司 | 2018-02-06 | — | — | CN | disclosed |
| CN-107540627-A | One kind has Tuo hydrogen Cong Suan oxadiazine Hete rocyclic derivatives of antibacterial activity and its production and use | 南京林业大学 | 2018-01-05 | — | — | CN | disclosed |
| CN-106146484-A | Quinazoline derivant is as RAF kinase modulator and their method and purposes | 埃姆比特生物科学公司 | 2016-11-23 | — | — | CN | disclosed |
| CN-104059020-B | The preparation method of 1-aryl-5-hydroxypyrazoles | 湖南海利常德农药化工有限公司 | 2016-08-31 | — | — | CN | disclosed |
| CN-102026985-B | Quinazoline derivatives as RAF kinase modulators and methods and uses thereof | 埃姆比特生物科学公司 | 2016-07-06 | — | — | CN | disclosed |
| CN-102977091-B | Fragrance alkyloyl tetrahydro-beta-carboline and the application of derivative in treatment metabolic disease thereof | EAST CHINA NORMAL UNIVERSITY (CN) | 2016-03-09 | — | — | CN | disclosed |
| CN-102977092-B | Fragrance alkyloyl tetrahydro-beta-carboline and the application of derivative in treatment malignant tumour thereof | EAST CHINA NORMAL UNIVERSITY (CN) | 2016-02-24 | — | — | CN | disclosed |
| CN-105254620-A | Pyrazole derivative, synthesis method and application of pyrazole derivative | SHANGHAI INST TECHNOLOGY | 2016-01-20 | — | — | CN | disclosed |