Tromethamine

Tromethamine

SCHEMBL8148708

Cc1ccc(N=C=O)cc1.NC(CO)(CO)CO

nearest known ligand 0.44

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
CYP3A4 P08684 3/20 0.44
TSHR P16473 1/20 0.44
TRPA1 O75762 1/20 0.40
HTR3E A5X5Y0 2/20 0.37
HTR3B O95264 2/20 0.37
HTR3A P46098 2/20 0.37
HTR3D Q70Z44 2/20 0.37
HTR3C Q8WXA8 2/20 0.37
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
SLC22A3 O75751 1/20 0.37
PLAU P00749 1/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
STAT3 P40763 1/20 0.37
STAT1 P42224 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL93286 0.81 CYP3A4 (0.56) CYP3A4TSHRTRPA1HTR3EHTR3B
Hydrogen Sulfide SCHEMBL27351182 0.79 CYP3A4 (0.54) CYP3A4TSHRTRPA1HTR3EHTR3B
Methylene Chloride SCHEMBL28742398 0.77 CYP3A4 (0.54) CYP3A4TSHRTRPA1HTR3EHTR3B
SCHEMBL3341324 0.77 HTR3E (0.45) CYP3A4TSHRTRPA1HTR3EHTR3B
SCHEMBL20893292 0.77 ALDH1A1 (0.61) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL19876727 0.75 CYP3A4 (0.50) CYP3A4TSHRTRPA1HTR3EHTR3B
Dimethylamine SCHEMBL28015585 0.75 CYP3A4 (0.56) CYP3A4TSHRTRPA1HTR3EHTR3B
SCHEMBL7585383 0.75 CYP3A4 (0.50) CYP3A4TSHRTRPA1HTR3EHTR3B
Tromethamine SCHEMBL5026344 0.74 ALDH1A1 (0.41) CYP3A4TSHRMAPK1TDP1MAPT
SCHEMBL10304668 0.74 CYP3A4 (0.80) CYP3A4TSHRTRPA1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117222684-B Flexible foam comprising flame-retardant polyurethane, method for the production thereof and use thereof 科莱恩国际有限公司 2024-06-14 CN disclosed
CN-117222684-A Flexible foam comprising flame-retardant polyurethane, method for the production thereof and use thereof 科莱恩国际有限公司 2023-12-12 CN disclosed
EP-3645594-A1 TWO-COMPONENT POLYURETHANE COMPOSITION WITH ADJUSTABLE POT LIFE Sika Technology AG (CH) 2020-05-06 EP disclosed
WO-2000000530-A1 PRIMER FOR IMPROVING THE BONDING OF ADHESIVES TO NONPOROUS SUBSTRATES ADCO PRODUCTS, INC. (US) 2000-01-06 WO disclosed
EP-0789736-B1 ONE-COAT ADHESIVE FOR BONDING CASTABLE URETHANES TO METAL LORD CORP (US) 1999-05-06 EP disclosed
US-3981828-A ISOCYANATE TRIMERIZATION CATALYSTS BASF WYANDOTTE CORPORATION (US) 1976-09-21 US disclosed