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Sugi Predict / Compounds / Betaine

Betaine

Betaine

SCHEMBL11248858

CCC([N+](CCO)(CCO)CCO)S(=O)(=O)O.C[N+](C)(C)CC(=O)O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

BHMTBHMT2

The experimentally established mechanism targets of Betaine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ APEX1 P27695 1/20 0.42

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
SCHEMBL11244308 0.85 PSMD14 (0.31) —
Betaine SCHEMBL11143345 0.81 TSHR (0.47) TSHRALDH1A1LMNAAPEX1
Betaine SCHEMBL11146271 0.73 TSHR (0.45) TSHRALDH1A1LMNAAPEX1
SCHEMBL4603959 0.72 MEN1 (0.32) LMNA
Betaine SCHEMBL6140416 0.71 TSHR (0.70) TSHRALDH1A1LMNAAPEX1
Betaine SCHEMBL11143346 0.70 TSHR (0.50) TSHRALDH1A1LMNAAPEX1
Betaine SCHEMBL8018562 0.70 TSHR (0.45) TSHRALDH1A1LMNAAPEX1
Betaine SCHEMBL11144340 0.68 TSHR (0.47) TSHRALDH1A1LMNAAPEX1
Betaine SCHEMBL1072056 0.67 TSHR (0.70) TSHRALDH1A1LMNAAPEX1
Betaine SCHEMBL8018655 0.67 TSHR (0.45) TSHRALDH1A1LMNAAPEX1

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-4322324-A Ampho-ionic group-containing alkyd resins NIPPON PAINT CO., LTD. (JP) 1982-03-30 — — US disclosed