Trolamine

Trolamine

SCHEMBL6838017

N.N.O=C(O)/C=C\C(=O)O.OCCN(CCO)CCO

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol

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
ACE known ✓ P12821 1/20 0.32
ADRA2A known ✓ P08913 1/20 0.31
DRD1 known ✓ P21728 1/20 0.31
SLC6A2 known ✓ P23975 1/20 0.31
SLC6A4 known ✓ P31645 1/20 0.31
ADRA1A known ✓ P35348 1/20 0.31
SLC6A3 known ✓ Q01959 1/20 0.31
HRH3 known ✓ Q9Y5N1 1/20 0.31
TSHR P16473 5/20 0.47
TP53 P04637 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
EGLN3 Q9H6Z9 1/20 0.47
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.38
ALOX15 P16050 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.37
BLM P54132 3/20 0.35

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 SCHEMBL4944905 0.97 TSHR (0.50) TSHRTP53EGLN1EGLN3ALDH1A1
Trolamine SCHEMBL14989224 0.97 TSHR (0.50) TSHRTP53EGLN1EGLN3ALDH1A1
Trolamine SCHEMBL4944913 0.97 TSHR (0.50) TSHRTP53EGLN1EGLN3ALDH1A1
Trolamine SCHEMBL6479985 0.97 TSHR (0.50) TSHRTP53EGLN1EGLN3ALDH1A1
Trolamine SCHEMBL5874734 0.97 TSHR (0.50) TSHRTP53EGLN1EGLN3ALDH1A1
Trolamine SCHEMBL30358483 0.97 TSHR (0.50) TSHRTP53EGLN1EGLN3ALDH1A1
Trolamine SCHEMBL5875419 0.97 TSHR (0.50) TSHRTP53EGLN1EGLN3ALDH1A1
Trolamine SCHEMBL28088241 0.92 TSHR (0.45) TSHRTP53EGLN1EGLN3ALDH1A1
Trolamine SCHEMBL27950677 0.86 ALDH1A1 (0.41) TSHRTP53EGLN1EGLN3ALDH1A1
Trolamine SCHEMBL7744499 0.83 ALOX15 (0.44) TSHRKDM4EALOX15MAPTSMN1; SMN2

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
US-6753361-B2 FINELY DIVIDED MATERIAL IS MIXED OR IMPREGNATED WITH A HEAT-CURABLE FORMULATION AND THE RESULTANT MIXTURE IS SHAPED BY HEATING OR SHEETLIKE STRUCTURE OF FIBER MATERIALS IS FIRST TREATED WITH A HEAT-CURABLE FORMULATION AND THEN HEATED BASF AKTIENGESELLSCHAFT (DE) 2004-06-22 US disclosed
US-20020130439-A1 Compositions for producing moldings from finely divided materials BASF AKTIENGESELLSCHAFT (DE) 2002-09-19 US disclosed