Trimethylammonium

Trimethylammonium

SCHEMBL27469591

CN(C)C.O=C(I)c1ccccc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.50
CES1 P23141 5/20 0.50
TSHR P16473 3/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
DAO P14920 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
RECQL P46063 2/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
PARP1 P09874 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL672981 0.89
Benzoic Acid SCHEMBL1110868 0.81 TSHR (0.78) CES2CES1TSHRRAB9AALDH1A1
Benzophenone SCHEMBL27422465 0.81 ALDH1A1 (0.78) CES2CES1TSHRRAB9AALDH1A1
Benzil SCHEMBL1422480 0.81 CES2 (0.78) CES2CES1TSHRRAB9AALDH1A1
Furan SCHEMBL27737063 0.80 CES1 (0.46) CES2CES1TSHRALDH1A1HPGD
Benzil SCHEMBL3416500 0.79 CES2 (0.74) CES2CES1TSHRRAB9ANPC1
Benzil SCHEMBL9842480 0.79 CES2 (0.74) CES2CES1TSHRRAB9ANPC1
Benzil SCHEMBL1578185 0.79 CES2 (0.74) CES2CES1TSHRRAB9ANPC1
Benzoic Acid SCHEMBL27469592 0.79 TSHR (0.74) CES2CES1TSHRRAB9AALDH1A1
Benzil SCHEMBL27650877 0.79 CES2 (0.74) CES2CES1TSHRRAB9ANPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101352451-A Anionic or cationic dendrimer antimicrobial or antiparasitic compositions STARPHARMA PTY LTD (AU) 2009-01-28 CN disclosed
CN-1161128-C Angiogenic inhibitory compounds О 2004-08-11 CN disclosed
CN-1323215-A Inhibition of toxic materials or substances using dendrimers STARPHARMA LTD (AU) 2001-11-21 CN disclosed
CN-1323214-A Antimicrobial or antiparasitic compositions of anionic or cationic dendrimers STARPHARMA LTD (AU) 2001-11-21 CN disclosed