Tromethamine

Tromethamine

SCHEMBL5585604

CN(Cc1ccc(C2CCCCC2)cc1)c1ccc(-c2csc(N(C)Cc3ccc(C(=O)O)cc3)n2)cc1.NC(CO)(CO)CO

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

DHFRGARTPTGFRPTGIRPTGS1PTGS2TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8envmurAthyA

The experimentally established mechanism targets of Tromethamine. 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
GCGR P47871 9/20 0.40
GIPR P48546 8/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
CPB1 P15086 1/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MRE11 P49959 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
S1PR1 P21453 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL5585392 0.95 RXRA (0.42) GCGRGIPRRXRARXRBRXRG
SCHEMBL6000638 0.95 RXRA (0.42) GCGRGIPRRXRARXRBRXRG
SCHEMBL5585241 0.94 RXRA (0.41) GCGRGIPRRXRARXRBRXRG
Hydrochloric Acid SCHEMBL5585448 0.94 RXRA (0.41) GCGRGIPRRXRARXRBRXRG
SCHEMBL5585528 0.94 RXRA (0.41) GCGRGIPRRXRARXRBRXRG
SCHEMBL5585463 0.94 RXRA (0.43) GCGRGIPRRXRARXRBRXRG
Sulfuric Acid SCHEMBL5585551 0.92 RXRA (0.40) GCGRGIPRRXRARXRBRXRG
SCHEMBL5585722 0.91 GCGR (0.41) GCGRGIPRRXRARXRBRXRG
SCHEMBL5585767 0.90 RAB9A (0.43) GCGRGIPRRXRARXRBRXRG
Tromethamine SCHEMBL5585771 0.90 HRH3 (0.41) GCGRGIPRRXRARXRBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-20050065196-A1 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-24 US disclosed
EP-1452530-A1 AZOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050065196-A1 Azole compound and medicinal use thereof PTPN7, PTPN1, PTPN5 GCGR 317/4885GIPR 195/4885RXRA 582/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.