Alanine

Alanine

SCHEMBL671385

CC(C)C[C@H](N)B(O)O.C[C@H](N)C(=O)O.N[C@@H](Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.46
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
CTNNB1 P35222 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MME P08473 2/20 0.42
ACE P12821 2/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL2295176 0.98 PSMB5 (0.47) PSMB5MAPTALDH1A1RECQLCTNNB1
Hydrochloric Acid SCHEMBL2297582 0.96 PSMB5 (0.47) PSMB5MAPTALDH1A1RECQLCTNNB1
Levacetylleucine SCHEMBL6674776 0.88 PSMB5 (0.48) PSMB5ALDH1A1MMP2MMP9MMP8
Leucine SCHEMBL27471555 0.88 MAPT (0.47) PSMB5MAPTALDH1A1RECQLCTNNB1
Leucine SCHEMBL27470583 0.86 MAPT (0.50) MAPTALDH1A1RECQLCTNNB1MME
Leucine SCHEMBL6672109 0.86 MAPT (0.50) MAPTALDH1A1RECQLCTNNB1MME
SCHEMBL29397866 0.82 CTNNB1 (0.59) MAPTALDH1A1RECQLCTNNB1SLC1A3
SCHEMBL93516 0.82 CTNNB1 (0.59) MAPTALDH1A1RECQLCTNNB1SLC1A3
SCHEMBL660499 0.82 CTNNB1 (0.59) MAPTALDH1A1RECQLCTNNB1SLC1A3
SCHEMBL29482763 0.82 CTNNB1 (0.59) MAPTALDH1A1RECQLCTNNB1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2904115-A2 BIOMARKERS AND METHODS TO PREDICT RESPONSE TO INHIBITORS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2015-08-12 EP disclosed
EP-2776043-A1 BIOMARKERS OF RESPONSE TO PROTEASOME INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2014-09-17 EP disclosed
EP-2776586-A2 BIOMARKERS OF RESPONSE TO PROTEASOME INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2014-09-17 EP disclosed
WO-2014055543-A2 BIOMARKERS AND METHODS TO PREDICT RESPONSE TO INHIBITORS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-04-10 WO disclosed
EP-2606349-A1 CANCER DIAGNOSTIC AND CANCER THERAPEUTIC Pangea Biosciences Inc. (US) 2013-06-26 EP disclosed
WO-2013071163-A2 BIOMARKERS OF RESPONSE TO PROTEASOME INHIBITORS MILLENNIUM PHARAMACEUTICALS, INC. (US) 2013-05-16 WO disclosed
WO-2013071142-A1 BIOMARKERS OF RESPONSE TO PROTEASOME INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-05-16 WO disclosed
WO-2012024612-A1 CANCER DIAGNOSTIC AND CANCER THERAPEUTIC PANGEA BIOSCIENCES, INC. (US) 2012-02-23 WO disclosed
WO-2009148528-A2 ASSESSMENT OF CHROMOSOMAL ALTERATIONS TO PREDICT CLINICAL OUTCOME OF BORTEZOMIB TREATMENT MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-10 WO disclosed