Beta-Alanine

Beta-Alanine

SCHEMBL393586

C=C(CCO)OC(N)=O.NCCC(=O)O

nearest known ligand 0.35

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
THRB P10828 2/20 0.35
BLM P54132 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GABRR1 P24046 2/20 0.35
GABRR3 A8MPY1 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
HDAC3 O15379 1/20 0.35
GABBR2 O75899 1/20 0.35
CYP1A2 P05177 1/20 0.35
GABRA1 P14867 1/20 0.35
TSHR P16473 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRR2 P28476 1/20 0.35
SLC6A1 P30531 1/20 0.35
GABRA5 P31644 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
SCHEMBL2942328 0.86
Beta-Alanine SCHEMBL14742051 0.72 LMNA (0.55) LMNATHRBBLMKMT2ANPSR1
Beta-Alanine SCHEMBL11287803 0.72
SCHEMBL11123306 0.71 ALOX15 (0.31) TSHRALOX15
SCHEMBL393856 0.71
Beta-Alanine SCHEMBL8102166 0.70 LMNA (0.58) LMNATHRBBLMKMT2ANPSR1
Beta-Alanine SCHEMBL15021967 0.70 LMNA (0.58) LMNATHRBBLMKMT2ANPSR1
Beta-Alanine SCHEMBL20411566 0.69
Beta-Alanine SCHEMBL18281085 0.69
Beta-Alanine SCHEMBL21500 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8100978-B2 Prosthetic intervertebral discs having expandable cores that are implantable using minimally invasive surgical techniques SPINAL KINETICS INC. (US) 2012-01-24 US disclosed
US-20110144754-A1 Prosthetic intervertebral discs assemblies having compressible core elements with enhanced torque transmission SPINAL KINETICS LLC 2011-06-16 US disclosed
US-20110115110-A1 Method of Making Silicone Hydrogels with Fluorinated Side Chain Polysiloxanes KUNZLER JAY F 2011-05-19 US disclosed
US-20110082552-A1 Prosthetic Intervertebral Discs Implantable By Minimally Invasive Surgical Techniques SPINAL KINETICS, INC. 2011-04-07 US disclosed
US-7887592-B2 Prosthetic intervertebral discs assemblies having compressible core elements with enhanced torque transmission SPINAL KINETICS, INC. (US) 2011-02-15 US disclosed
US-7875687-B2 copolymerized with hydrophilic n-vinylpyrrolidinone monomer; high oxygen permeability contact lenses; biocompatability BAUSCH & LOMB INCORPORATED (US) 2011-01-25 US disclosed