Alanine

Alanine

SCHEMBL4258116

CC(N)C(=O)O.c1cc2ccc1-2

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.53
PTGS2 P35354 1/20 0.52
CYP1A2 P05177 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
SLC7A5 Q01650 1/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
ADAMTS4 O75173 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KIF11 P52732 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 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
Tannin Pyrogallol SCHEMBL27714316 0.93 TAAR1 (0.63) TAAR1PTGS2CYP1A2GAACYP2C9
Tannin Pyrogallol SCHEMBL27714315 0.93 TAAR1 (0.63) TAAR1PTGS2CYP1A2GAACYP2C9
Benzidine SCHEMBL15658492 0.91 MMP1 (0.51) TAAR1PTGS2CYP1A2GAACYP2C9
Biphenyl SCHEMBL157604 0.90 TAAR1 (0.60) TAAR1PTGS2CYP1A2GAACYP2C9
Biphenyl SCHEMBL341377 0.90 TAAR1 (0.60) TAAR1PTGS2CYP1A2GAACYP2C9
SCHEMBL27658907 0.82 PTGS2 (0.44) TAAR1PTGS2CYP1A2GAACYP2C9
SCHEMBL27585462 0.82 PTGS2 (0.56) TAAR1PTGS2CYP1A2GAACYP2C9
SCHEMBL11835743 0.82 PTGS2 (0.56) TAAR1PTGS2CYP1A2GAACYP2C9
Alanine SCHEMBL21616532 0.82 SLC7A5 (0.53) TAAR1PKMSLC7A5MAPTSLC1A3
Alanine SCHEMBL27615995 0.82 SLC7A5 (0.53) TAAR1PKMSLC7A5MAPTSLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104780944-B Compositions targeting bradykinin receptor B1 for medical imaging of cancer and other diseases 不列颠哥伦比亚癌症局分支机构 2020-03-17 CN disclosed
US-10335372-B2 Compositions with modified nucleases targeted to viral nucleic acids and methods of use for prevention and treatment of viral diseases Appelbaum, Jacob G. (US) 2019-07-02 US disclosed
US-20170209376-A1 COMPOSITIONS WITH MODIFIED NUCLEASES TARGETED TO VIRAL NUCLEIC ACIDS AND METHODS OF USE FOR PREVENTION AND TREATMENT OF VIRAL DISEASES NANONASE, INC. 2017-07-27 US disclosed
US-9592277-B2 Compositions with modified nucleases targeted to viral nucleic acids and methods of use for prevention and treatment of viral diseases AVIRID, INC. (US) 2017-03-14 US disclosed
US-20090047272-A1 Compositions with Modified Nucleases Targeted to Viral Nucleic Acids and Methods of Use for Prevention and Treatment of Viral Diseases NANONASE, INC. 2009-02-19 US disclosed
EP-1734991-A2 COMPOSITIONS WITH MODIFIED NUCLEASES TARGETED TO VIRAL NUCLEIC ACIDS AND METHODS OF USE FOR PREVENTION AND TREATMENT OF VIRAL DISEASES Avirid, Inc. (US) 2006-12-27 EP disclosed
WO-2005115444-A2 COMPOSITIONS WITH MODIFIED NUCLEASES TARGETED TO VIRAL NUCLEIC ACIDS AND METHODS OF USE FOR PREVENTION AND TREATMENT OF VIRAL DISEASES AVIRID, INC. (US) 2005-12-08 WO disclosed