Indole-3-Carbinol

Indole-3-Carbinol

SCHEMBL2867957

O[13CH2]c1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.72
KMT2A Q03164 6/20 0.72
MAPT P10636 4/20 0.72
CYP3A4 P08684 3/20 0.72
AHR P35869 1/20 0.72
GPR84 Q9NQS5 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
HTR2A P28223 4/20 0.62
CYP2D6 P10635 3/20 0.62
HTR2C P28335 3/20 0.62
HTR1D P28221 2/20 0.62
HTR1B P28222 2/20 0.62
HTR7 P34969 2/20 0.62
HTR6 P50406 2/20 0.62
MPO P05164 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2A6 P11509 1/20 0.62
NFKB1 P19838 1/20 0.62
CTSK P43235 1/20 0.62
CYP2A13 Q16696 1/20 0.62

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
Indole-3-Carbinol SCHEMBL195520 1.00 MEN1 (0.72) MEN1KMT2AMAPTCYP3A4AHR
Indole-3-Carbinol SCHEMBL29350358 1.00 MEN1 (0.72) MEN1KMT2AMAPTCYP3A4AHR
Indole-3-Carbinol SCHEMBL30082813 0.98 MEN1 (0.69) MEN1KMT2AMAPTCYP3A4AHR
Indole-3-Carbinol SCHEMBL63995 0.98 MEN1 (0.69) MEN1KMT2AMAPTCYP3A4AHR
Indole-3-Carbinol SCHEMBL28474632 0.89 MEN1 (0.63) MEN1KMT2AMAPTCYP3A4AHR
Indole-3-Carbinol SCHEMBL28164722 0.89 MEN1 (0.58) MEN1KMT2AMAPTCYP3A4AHR
Indole-3-Carbinol SCHEMBL14119930 0.86 AHR (0.57) MEN1KMT2AMAPTCYP3A4AHR
Tryptophol SCHEMBL29364545 0.85 HTR2A (0.67) MEN1KMT2AMAPTCYP3A4AHR
Tryptophol SCHEMBL196126 0.85 HTR2A (0.67) MEN1KMT2AMAPTCYP3A4AHR
Arundine SCHEMBL325162 0.84 MEN1 (1.00) MEN1KMT2AMAPTCYP3A4AHR

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
WO-2010124257-A2 METHODS AND KITS FOR DETERMINING OXYGEN FREE RADICAL (OFR) LEVELS IN ANIMAL AND HUMAN TISSUES AS A PROGNOSTIC MARKER FOR CANCER AND OTHER PATHOPHYSIOLOGIES COLBY PHARMACEUTICAL COMPANY (US) 2010-10-28 WO disclosed
US-20030190381-A1 Medical composition for balancing bodily processes METAGENICS, INC. 2003-10-09 US disclosed