Indole

Indole

SCHEMBL28255181

C1CCNCC1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1cncnc1.c1cnnnc1

nearest known ligand 0.42

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
AHR P35869 1/20 0.42
ADK P55263 1/20 0.42
SLC6A2 P23975 6/20 0.31
SLC6A4 P31645 6/20 0.31
SLC6A3 Q01959 5/20 0.31
CYP2D6 P10635 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
Indole SCHEMBL28254267 0.89 TRPA1 (0.34) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL28765097 0.88 AHR (0.55) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL28255111 0.84 TRPA1 (0.30) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL28253385 0.82 TRPA1 (0.38) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL28150508 0.80 TRPA1 (0.55) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL2487163 0.78 AHR (0.71) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL28940073 0.78 AHR (0.71) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL4075709 0.78 AHR (0.71) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL7643909 0.78 AHR (0.71) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL15903805 0.78 AHR (0.71) TRPA1CA1CA2ITGB2ICAM1

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
CN-110177828-A The method for manufacturing anion-exchange membrane 二氧化碳材料公司 2019-08-27 CN disclosed
CN-108884576-A Apparatus for electrolyzing 二氧化碳材料公司 2018-11-23 CN disclosed