Trolamine

Trolamine

SCHEMBL8515536

CCO.CCO.OCCN(CCO)CCO

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Trolamine. 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 3/20 0.47
ALDH1A1 P00352 5/20 0.46
TSHR P16473 2/20 0.46
CYP1A2 P05177 3/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP2C9 P11712 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HIF1A Q16665 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 1/20 0.42
ALDH2 P05091 1/20 0.36
CYP2D6 P10635 2/20 0.32
HTT P42858 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
BCHE P06276 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.

Compoundsimilaritytop predictedshared targets
Trolamine SCHEMBL752321 1.00 MAPT (0.47) MAPTALDH1A1TSHRCYP1A2HPGD
Trolamine SCHEMBL30733247 1.00 MAPT (0.47) MAPTALDH1A1TSHRCYP1A2HPGD
Trolamine SCHEMBL30238589 1.00 MAPT (0.47) MAPTALDH1A1TSHRCYP1A2HPGD
Trolamine SCHEMBL27698274 0.96 MAPT (0.44) MAPTALDH1A1TSHRCYP1A2HPGD
Trolamine SCHEMBL19859279 0.96 MAPT (0.44) MAPTALDH1A1TSHRCYP1A2HPGD
Trolamine SCHEMBL11800024 0.92 MAPT (0.47) MAPTALDH1A1TSHRCYP1A2HPGD
Trolamine SCHEMBL27668841 0.92 MAPT (0.47) MAPTALDH1A1TSHRCYP1A2HPGD
Trolamine SCHEMBL28990089 0.90 MAPT (0.40) MAPTALDH1A1TSHRCYP1A2HPGD
Trolamine SCHEMBL29234087 0.89 MAPT (0.44) MAPTALDH1A1TSHRCYP1A2HPGD
Trolamine SCHEMBL721955 0.88 MAPT (0.50) MAPTALDH1A1TSHRCYP1A2HPGD

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2642973-A1 COSMETIC COMPOSITION FOR SKIN WHITENING COMPRISING RESVERATROL DSM IP Assets B.V. (NL) 2013-10-02 EP disclosed
WO-2012069362-A1 COSMETIC COMPOSITION FOR SKIN WHITENING COMPRISING RESVERATROL DSM IP ASSETS B.V. (NL) 2012-05-31 WO disclosed