Tromethamine

SCHEMBL7211844

CC(C)(C)C1CN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CCN1CC(=O)O.NC(CO)(CO)CO

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

DHFR GART PTGFR PTGIR PTGS1 PTGS2 TUBA1A TUBA1B TUBA1C TUBA3C TUBA3E TUBA4A TUBB TUBB1 TUBB2A TUBB2B TUBB3 TUBB4A TUBB4B TUBB6 TUBB8 env murA thyA

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 2)

	gene	UniProt	supporting neighbours	confidence
▸	HSD17B10	Q99714	1/20	0.32

▸	SLC6A9	P48067	1/20	0.31

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.

Compound	similarity	top predicted	shared targets
Tetraxetan SCHEMBL17075368	0.79	HSD17B10 (0.47)	HSD17B10SLC6A9
SCHEMBL17874222	0.78	SLC6A9 (0.34)	SLC6A9
SCHEMBL7264632	0.71	HSD17B10 (0.40)	HSD17B10SLC6A9
SCHEMBL22131067	0.70	HSD17B10 (0.36)	HSD17B10SLC6A9
SCHEMBL21138986	0.70	HSD17B10 (0.36)	HSD17B10SLC6A9
SCHEMBL24709061	0.70	HSD17B10 (0.41)	HSD17B10SLC6A9
SCHEMBL9182778	0.70	SLC6A9 (0.51)	HSD17B10SLC6A9
SCHEMBL7260245	0.70	HSD17B10 (0.37)	HSD17B10SLC6A9
SCHEMBL16800540	0.70	SLC6A9 (0.51)	HSD17B10SLC6A9
SCHEMBL1144711	0.70	SLC6A9 (0.51)	HSD17B10SLC6A9

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1337278-A2	SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT	Bristol-Myers Squibb Medical Imaging, Inc. (US)	2003-08-27	—	—	EP	disclosed
WO-2002055111-A2	SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT	BRISTOL MYERS SQUIBB MEDICAL I (US)	2002-07-18	—	—	WO	disclosed