Alanine

Alanine

SCHEMBL9018448

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

nearest known ligand 0.50

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Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Alanine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
SLC7A5 Q01650 2/20 0.48
FFAR3 O14843 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
TP53 P04637 1/20 0.42
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 1/20 0.37
LTA4H P09960 1/20 0.37
GABRP O00591 4/20 0.36
GABRD O14764 4/20 0.36
GABRA1 P14867 4/20 0.36
GABRB1 P18505 4/20 0.36
GABRG2 P18507 4/20 0.36
GABRB3 P28472 4/20 0.36
GABRA5 P31644 4/20 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
Alanine SCHEMBL28317985 0.97 LMNA (0.53) LMNAALOX15BLMPMP22SLC7A5
Alanine SCHEMBL17873222 0.97 LMNA (0.53) LMNAALOX15BLMPMP22SLC7A5
Alanine SCHEMBL17873220 0.94 LMNA (0.50) LMNAALOX15BLMPMP22SLC7A5
D-Alanine SCHEMBL1314451 0.94 SLC7A5 (0.53) SLC7A5FFAR3LCKFYNTP53
D-Alanine SCHEMBL31494467 0.94 SLC7A5 (0.53) SLC7A5FFAR3LCKFYNTP53
Alanine SCHEMBL468681 0.94 SLC7A5 (0.53) SLC7A5FFAR3LCKFYNTP53
Alanine SCHEMBL28538824 0.94 SLC7A5 (0.53) SLC7A5FFAR3LCKFYNTP53
Alanine SCHEMBL468682 0.94 SLC7A5 (0.53) SLC7A5FFAR3LCKFYNTP53
Alanine SCHEMBL6160098 0.94 SLC7A5 (0.53) SLC7A5FFAR3LCKFYNTP53
Alanine SCHEMBL6160093 0.94 SLC7A5 (0.53) SLC7A5FFAR3LCKFYNTP53

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
US-5550015-A PRECIPITATING A SILVERBROMOIODIDE CORE BY DOUBLE JET METHOD; RIPENING; GROWING GRAINS BY ADDING SILVER IONS FROM ONE SOLUTION AND BROMIDE AND IODIDE IONS FROM ANOTHER AGFA-GEVAERT AG (DE) 1996-08-27 US disclosed