Alanine

Alanine

SCHEMBL28113518

CC(N)C(=O)O.[Au].c1cc2nc[nH]c2cn1

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.40
▸ KDM4A O75164 1/20 0.40
▸ KDM4B O94953 1/20 0.40
▸ KDM5C P41229 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ KDM5B Q9UGL1 1/20 0.40
▸ KDM3A Q9Y4C1 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 2/20 0.38
▸ QPCT Q16769 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ QPCTL Q9NXS2 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36
▸ WNT3A P56704 1/20 0.36
▸ PRKCI P41743 1/20 0.36
▸ MAPT P10636 1/20 0.35

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
Hydrazine SCHEMBL3450713 0.81 QPCT (0.49) NAMPTKDM4AKDM4BKDM5CKDM4C
SCHEMBL29837279 0.80 — —
SCHEMBL89868 0.80 — —
Benzimidazole SCHEMBL11555504 0.80 SMN1; SMN2 (0.48) NAMPTKDM4ESMN1; SMN2HTTQPCT
Benzimidazole SCHEMBL11555505 0.80 SMN1; SMN2 (0.48) NAMPTKDM4ESMN1; SMN2HTTQPCT
SCHEMBL2447586 0.79 QPCT (0.50) NAMPTKDM4AKDM4BKDM5CKDM4C
SCHEMBL27982386 0.79 QPCT (0.50) NAMPTKDM4AKDM4BKDM5CKDM4C
SCHEMBL2447581 0.79 QPCT (0.50) NAMPTKDM4AKDM4BKDM5CKDM4C
Purine SCHEMBL8066127 0.75 SMN1; SMN2 (0.37) KDM4ESMN1; SMN2ALDH1A1CYP3A4SLC7A5
Purine SCHEMBL21998271 0.75 SMN1; SMN2 (0.37) KDM4ESMN1; SMN2ALDH1A1CYP3A4SLC7A5

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-106279215-A A kind of nitrogenous aminoacid gold and application and preparation thereof 江南大学 2017-01-04 — — CN disclosed
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