Monoethanolamine

Monoethanolamine

SCHEMBL29132870

CN(C)CCN(C)C.NCCO

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MPL

The experimentally established mechanism targets of Monoethanolamine. 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
MAPT P10636 1/20 0.59
ALDH1A1 P00352 4/20 0.53
TSHR P16473 2/20 0.53
TDP1 Q9NUW8 3/20 0.46
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CHRM2 P08172 1/20 0.35
HRH4 Q9H3N8 2/20 0.32
CYP1A2 P05177 1/20 0.32
HRH2 P25021 1/20 0.32

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
Monoethanolamine SCHEMBL6103998 0.90 MAPT (0.56) MAPTALDH1A1TSHRTDP1CA12
Dimethylaminoethanol SCHEMBL20677258 0.90 MAPT (0.75) MAPTALDH1A1TSHRTDP1CA12
Monoethanolamine SCHEMBL3377894 0.85 MAPT (0.50) MAPTALDH1A1TSHRTDP1CA12
SCHEMBL29132828 0.85 TDP1 (0.52) MAPTALDH1A1TSHRTDP1CA12
Dimethylaminoethanol SCHEMBL28282228 0.84 MAPT (0.75) MAPTALDH1A1TSHRTDP1CA12
Dimethylaminoethanol SCHEMBL11289429 0.83 MAPT (0.63) MAPTALDH1A1TSHRTDP1CA12
SCHEMBL29132833 0.83 TDP1 (0.50) MAPTALDH1A1TSHRTDP1CA12
Ethylenediamine SCHEMBL6911410 0.82 CA12 (0.53) MAPTALDH1A1TSHRTDP1CA12
Ethylenediamine SCHEMBL27892274 0.82 CA12 (0.53) MAPTALDH1A1TSHRTDP1CA12
Trimethylammonium SCHEMBL27312264 0.82

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
CN-117282256-A Aqueous mixed amine liquid-liquid phase absorbent for capturing carbon dioxide 四川大学 2023-12-26 CN disclosed