Trimetrexate

Trimetrexate

SCHEMBL5981602

COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC.c1ncc2[nH]cnc2n1

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 12/20 0.71
MEN1 O00255 1/20 0.71
ALDH1A1 P00352 1/20 0.71
ESR1 P03372 1/20 0.71
CHRM2 P08172 1/20 0.71
HTR1A P08908 1/20 0.71
MAPT P10636 1/20 0.71
CHRM1 P11229 1/20 0.71
HPGD P15428 1/20 0.71
MAOA P21397 1/20 0.71
DRD1 P21728 1/20 0.71
ACHE P22303 1/20 0.71
PTGS1 P23219 1/20 0.71
SLC6A2 P23975 1/20 0.71
PDE4A P27815 1/20 0.71
OPRM1 P35372 1/20 0.71
DRD3 P35462 1/20 0.71
BLM P54132 1/20 0.71
SLC6A3 Q01959 1/20 0.71
KMT2A Q03164 1/20 0.71

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 SCHEMBL28108499 0.85 DHFR (0.76) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL29376841 0.84 DHFR (1.00) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL3983 0.84 DHFR (1.00) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL10701228 0.84 DHFR (1.00) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL29403928 0.84 DHFR (1.00) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL8922992 0.83 DHFR (0.76) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL7099831 0.83 DHFR (0.98) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL29906169 0.83 DHFR (0.98) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL7099341 0.83 DHFR (0.98) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL1353376 0.83 DHFR (0.81) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122198-B1 Fast dissolving composition with prolonged sweet taste PANACEA BIOTEC LIMITED (IN) 2006-10-17 US disclosed
WO-1996040086-A2 COMPOSITIONS AND METHODS FOR TOPICAL ADMINISTRATION OF PHARMACEUTICALLY ACTIVE AGENTS NOVEN PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed