Trimetrexate

Trimetrexate

SCHEMBL29906169

COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC.Cl.Cl.Cl

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Trimetrexate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 known ✓ P03372 1/20 0.98
CHRM2 known ✓ P08172 1/20 0.98
HTR1A known ✓ P08908 1/20 0.98
CHRM1 known ✓ P11229 1/20 0.98
MAOA known ✓ P21397 1/20 0.98
DRD1 known ✓ P21728 1/20 0.98
ACHE known ✓ P22303 1/20 0.98
PTGS1 known ✓ P23219 1/20 0.98
SLC6A2 known ✓ P23975 1/20 0.98
PDE4A known ✓ P27815 1/20 0.98
OPRM1 known ✓ P35372 1/20 0.98
DRD3 known ✓ P35462 1/20 0.98
SLC6A3 known ✓ Q01959 1/20 0.98
KCNH2 known ✓ Q12809 1/20 0.98
PDE3A known ✓ Q14432 1/20 0.98
DHFR P00374 9/20 0.98
MEN1 O00255 1/20 0.98
ALDH1A1 P00352 1/20 0.98
MAPT P10636 1/20 0.98
HPGD P15428 1/20 0.98

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.

Compoundsimilaritytop predictedshared targets
Trimetrexate SCHEMBL7099341 1.00 DHFR (0.98) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL8035980 0.99 DHFR (0.96) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL3983 0.99 DHFR (1.00) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL29376841 0.99 DHFR (1.00) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL10701228 0.99 DHFR (1.00) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL29403928 0.99 DHFR (1.00) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL7099831 0.98 DHFR (0.98) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL27795867 0.94 DHFR (0.90) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL8039650 0.93 DHFR (0.88) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL7099424 0.93 DHFR (0.88) DHFRMEN1ALDH1A1ESR1CHRM2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12526027-B2 Network node antenna grouping for power reduction on ue QUALCOMM INCORPORATED (US) 2026-01-13 US disclosed
US-12484013-B2 Communications devices and methods Sony Group Corporation (JP) 2025-11-25 US disclosed
EP-4197201-B1 RANGING-BASED SERVICES USING SIDELINK COMMUNICATION SONY GROUP CORP (JP) 2025-08-06 EP disclosed
US-12199850-B2 Communication system, master device, slave device and communication method MEGACHIPS CORPORATION (JP) 2025-01-14 US disclosed
US-20240421878-A1 NETWORK NODE ANTENNA GROUPING FOR POWER REDUCTION ON UE QUALCOMM INCORPORATED 2024-12-19 US disclosed
WO-2024258529-A1 NETWORK NODE ANTENNA GROUPING FOR POWER REDUCTION ON UE QUALCOMM INCORPORATED (US) 2024-12-19 WO disclosed
US-20230353471-A1 COMMUNICATION SYSTEM, MASTER DEVICE, SLAVE DEVICE AND COMMUNICATION METHOD MEGACHIPS CORPORATION (JP) 2023-11-02 US disclosed
US-20230328685-A1 COMMUNICATIONS DEVICES AND METHODS Sony Group Corporation (JP) 2023-10-12 US disclosed
CN-112528224-B Matrix eigenvalue decomposition grouping circulation iteration flow realization method and system 上海微波技术研究所(中国电子科技集团公司第五十研究所) 2022-09-13 CN disclosed