Alanine

Alanine

SCHEMBL2172397

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

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.52
GABRD O14764 3/20 0.52
GABRA1 P14867 3/20 0.52
GABRB1 P18505 3/20 0.52
GABRG2 P18507 3/20 0.52
GABRB3 P28472 3/20 0.52
GABRA5 P31644 3/20 0.52
GABRA3 P34903 3/20 0.52
GABRA2 P47869 3/20 0.52
GABRB2 P47870 3/20 0.52
GABRA4 P48169 3/20 0.52
GABRE P78334 3/20 0.52
GABRA6 Q16445 3/20 0.52
GABRG1 Q8N1C3 3/20 0.52
GABRG3 Q99928 3/20 0.52
GABRQ Q9UN88 3/20 0.52
GABRR1 P24046 4/20 0.46
CYP1A2 P05177 3/20 0.46
GSR P00390 2/20 0.46
GRM8 O00222 1/20 0.46

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
D-Alanine SCHEMBL1512857 1.00 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
Alanine SCHEMBL6754143 1.00 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
Alanine SCHEMBL9957817 1.00 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
Alanine SCHEMBL7547184 0.95 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
Alanine SCHEMBL7547179 0.95 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
Beta-Alanine SCHEMBL27717619 0.90 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
Valine SCHEMBL20212334 0.89 SLC7A5 (0.60) GABRPGABRDGABRA1GABRB1GABRG2
Succinic Acid SCHEMBL542249 0.87 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
Succinic Acid SCHEMBL542280 0.87 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
Succinic Acid SCHEMBL542250 0.87 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3736275-B1 OXABICYCLOHEPTANE PRODRUGS FOR USE IN TREATING CANCER LIXTE BIOTECHNOLOGY INC (US) 2024-07-03 EP disclosed
US-11866444-B2 Oxabicycloheptane prodrugs LIXTE BIOTECHNOLOGY, INC. (US) 2024-01-09 US disclosed
WO-2023178313-A2 RADIOPHARMACEUTICAL COMPOSITIONS, SYNTHETIC METHODS, AND METHODS OF TREATMENT THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-09-21 WO disclosed
WO-2023070004-A1 TARGETED RADIOTHERANOSTICS BASED ON POLYAZAMACROCYCLIC, MIXED-DONOR SCAFFOLDS LINKED TO A TARGETING VECTOR THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-04-27 WO disclosed
WO-2022186652-A1 METHOD AND KIT FOR DIAGNOSING DIABETES BY USING TEARS 경희대학교 산학협력단 2022-09-09 WO disclosed
US-20220218661-A1 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-07-14 US disclosed
US-11236102-B2 Oxabicycloheptane prodrugs LIXTE BIOTECHNOLOGY, INC. (US) 2022-02-01 US disclosed
US-20210276971-A1 TRIAZAMACROCYCLE-DERIVED CHELATOR COMPOSITIONS FOR COORDINATION OF IMAGING AND THERAPY METAL IONS AND METHODS OF USING SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-09-09 US disclosed
CN-113150030-A Oxabicycloheptane prodrugs 莱克斯特生物技术公司 2021-07-23 CN disclosed
US-10954273-B2 Hybrid cyclic libraries and screens thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-03-23 US disclosed
US-20140154693-A1 REAGENT USABLE FOR THE ISOLATION AND/OR PURIFICATION OF NUCLEIC ACIDS QIAGEN GMBH (DE) 2014-06-05 US disclosed
EP-2729570-A2 REAGENT USABLE FOR THE ISOLATION AND/OR PURIFICATION OF NUCLEIC ACIDS Qiagen GmbH (DE) 2014-05-14 EP disclosed
WO-2014047199-A1 NOVEL PRODRUGS FOR SELECTIVE ANTICANCER THERAPY THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2014-03-27 WO disclosed
WO-2014027012-A1 METHOD FOR PRODUCING A COMPOSITION FOR TREATING A TOOTH LESION CREDENTIS AG (CH) 2014-02-20 WO disclosed
US-20130309732-A1 BIOSYNTHESIS METHODS OF NOREPHEDRINE WITH SPECIFIC OPTICAL ACTIVITIES HUNGKUANG UNIVERSITY (TW) 2013-11-21 US disclosed
EP-2647713-A1 MODIFIED SINGLE-STRAND POLYNUCLEOTIDE DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-10-09 EP disclosed
US-20130253038-A1 Modified Single-Stranded Polynucleotide DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-26 US disclosed
WO-2013004710-A2 REAGENT USABLE FOR THE ISOLATION AND/OR PURIFICATION OF NUCLEIC ACIDS QIAGEN GMBH (DE) 2013-01-10 WO disclosed
EP-2348080-A1 Polishing composition and polishing method using the same FUJIMI INCORPORATED (JP) 2011-07-27 EP disclosed
WO-2009145839-A1 POLYAMINE COMPOUNDS THAT BIND TAR RNA OF HIV AND METHODS OF TREATING VIRAL DISORDERS GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-12-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220218661-A1 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION CBR3, C1R, CBR1 GABRP 3263/4885GABRD 1964/4885GABRA1 958/4885
US-10954273-B2 Hybrid cyclic libraries and screens thereof CACYBP, HSPBP1, PEBP1 GABRP 2059/4885GABRD 2797/4885GABRA1 4228/4885
US-11866444-B2 Oxabicycloheptane prodrugs UGT2B7, UGT1A6, UGT1A1 GABRP 1145/4885GABRD 2500/4885GABRA1 2611/4885
US-20210276971-A1 TRIAZAMACROCYCLE-DERIVED CHELATOR COMPOSITIONS FOR COORDINATION OF IMAGING AND THERAPY METAL IONS AND METHODS OF USING SAME PAICS, SLC39A14, SLC39A7 GABRP 2019/4885GABRD 2790/4885GABRA1 2015/4885
US-11236102-B2 Oxabicycloheptane prodrugs UGT2B7, UGT1A6, UGT1A1 GABRP 1145/4885GABRD 2500/4885GABRA1 2611/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.