Tromethamine

Tromethamine

SCHEMBL3583622

N#Cc1c(-c2ccoc2)cc(-c2cccs2)nc1OCc1ccc(C(=O)O)cc1Br.NC(CO)(CO)CO

nearest known ligand 0.42

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
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ PABPC1 P11940 1/20 0.41
▸ PPP1CA P62136 1/20 0.41
▸ EIF4H Q15056 1/20 0.41
▸ SAE1 Q9UBE0 1/20 0.41
▸ UBA2 Q9UBT2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ADORA2A P29274 3/20 0.40
▸ ADORA1 P30542 3/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KAT8 Q9H7Z6 1/20 0.39
▸ PDE5A O76074 1/20 0.39
▸ PDE1A P54750 1/20 0.39
▸ PDE1B Q01064 1/20 0.39
▸ PDE1C Q14123 1/20 0.39

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
SCHEMBL3584550 0.95 KMT2A (0.44) KMT2AMEN1PABPC1PPP1CAEIF4H
SCHEMBL3583624 0.91 KMT2A (0.40) KMT2AMEN1PABPC1PPP1CAEIF4H
Tromethamine SCHEMBL3598984 0.91 KMT2A (0.42) KMT2AMEN1PABPC1PPP1CAEIF4H
SCHEMBL3589044 0.87 ALDH1A1 (0.43) KMT2AMEN1PABPC1PPP1CAEIF4H
SCHEMBL14391017 0.87 ALDH1A1 (0.46) KMT2AMEN1PABPC1PPP1CAEIF4H
SCHEMBL3590359 0.86 KMT2A (0.44) KMT2AMEN1PABPC1PPP1CAEIF4H
Tromethamine SCHEMBL3603000 0.84 KMT2A (0.44) KMT2AMEN1PABPC1PPP1CAEIF4H
Tromethamine SCHEMBL3594913 0.84 KMT2A (0.47) KMT2AMEN1PABPC1PPP1CAEIF4H
SCHEMBL3597438 0.84 PTGES (0.45) KMT2AMEN1PABPC1PPP1CAEIF4H
SCHEMBL3597444 0.84 PTGES (0.45) KMT2AMEN1PABPC1PPP1CAEIF4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — US 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-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 KMT2A 728/4885MEN1 3516/4885PABPC1 2793/4885

“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.

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