Butane

Butane

SCHEMBL6714167

CCCC.N/N=N/c1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TDP1 Q9NUW8 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NOS3 P29474 4/20 0.39
▸ NOS1 P29475 4/20 0.39
▸ NOS2 P35228 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL296845 0.87 — —
SCHEMBL296846 0.87 — —
SCHEMBL498740 0.87 — —
Hydrochloric Acid SCHEMBL11330484 0.85 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTPKM
Azobenzene SCHEMBL15261802 0.85 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AMAPTPKM
Phenol SCHEMBL11427408 0.76 MEN1 (0.62) ALDH1A1MEN1KMT2AMAPTPKM
Azobenzene SCHEMBL28807502 0.75 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTPKM
Azobenzene SCHEMBL28807503 0.75 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTPKM
Azobenzene SCHEMBL27937522 0.73 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTPKM
Azobenzene SCHEMBL27937521 0.73 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421146-A1 MOLECULAR TAGS FOR ORGANIC SOLVENT SYSTEMS United Color Manufacturing, Inc. (US) 2004-05-26 — — EP claimed
WO-2003022942-A1 MOLECULAR TAGS FOR ORGANIC SOLVENT SYSTEMS UNITED COLOR MANUFACTURING, INC. (US) 2003-03-20 — — WO claimed
US-6514917-B1 Molecular tags for organic solvent systems UNITED COLOR MANUFACTURING, INC. 2003-02-04 — — US claimed
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