Alanine

Alanine

SCHEMBL28062592

CC(N)C(=O)O.CC(Nc1csc2ccccc12)C(=O)O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.52
▸ MAPT P10636 7/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ ALOX5 P09917 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ APP P05067 1/20 0.41
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL173452 0.94 PKM (0.58) PKMMAPTRAB9ANPC1ALOX5
SCHEMBL29478388 0.94 PKM (0.58) PKMMAPTRAB9ANPC1ALOX5
SCHEMBL837337 0.94 PKM (0.58) PKMMAPTRAB9ANPC1ALOX5
SCHEMBL349628 0.94 PKM (0.58) PKMMAPTRAB9ANPC1ALOX5
SCHEMBL17142326 0.94 PKM (0.58) PKMMAPTRAB9ANPC1ALOX5
SCHEMBL29362649 0.94 PKM (0.58) PKMMAPTRAB9ANPC1ALOX5
SCHEMBL14722330 0.85 PKM (0.49) PKMMAPTRAB9ANPC1GAA
SCHEMBL29157483 0.83 MAPT (0.47) PKMMAPTRAB9ANPC1ALOX5
SCHEMBL21748385 0.83 PKM (0.44) PKMMAPTRAB9ANPC1
SCHEMBL16245940 0.83 PKM (0.44) PKMMAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105658232-A Methods of using interleukin-10 for treating diseases and disorders 阿尔莫生物科技股份有限公司 2016-06-08 — — CN disclosed
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