Valine

Valine

SCHEMBL645697

CC(C)C(N)C(=O)O.c1c[nH]cn1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.54
ALDH1A1 P00352 1/20 0.46
FKBP5 Q13451 1/20 0.46
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
CYP3A4 P08684 1/20 0.30

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
Valine SCHEMBL7279040 1.00 SLC7A5 (0.54) SLC7A5ALDH1A1FKBP5SLC1A3SLC1A2
Valine SCHEMBL645699 1.00 SLC7A5 (0.54) SLC7A5ALDH1A1FKBP5SLC1A3SLC1A2
Threonine SCHEMBL28637557 0.89 ALDH1A1 (0.46) SLC7A5ALDH1A1FKBP5SLC1A3SLC1A2
Threonine SCHEMBL28155188 0.89 ALDH1A1 (0.46) SLC7A5ALDH1A1FKBP5SLC1A3SLC1A2
Alanine SCHEMBL8532378 0.87 ALDH1A1 (0.52) SLC7A5ALDH1A1FKBP5CYP3A4
Alanine SCHEMBL8532370 0.87 ALDH1A1 (0.52) SLC7A5ALDH1A1FKBP5CYP3A4
Isoleucine SCHEMBL28155191 0.85 ALDH1A1 (0.42) SLC7A5ALDH1A1FKBP5
Imidazole SCHEMBL2158081 0.83 ALDH1A1 (0.56) ALDH1A1FKBP5
Lactic Acid SCHEMBL1331765 0.81 ALDH1A1 (0.54) ALDH1A1FKBP5
Imidazole SCHEMBL16859470 0.79 ALDH1A1 (0.52) ALDH1A1FKBP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106966988-A A kind of method of use microwave radiation synthesizing amino acid imidazole salts in aqueous 上海应用技术大学 2017-07-21 CN disclosed
CN-106604734-A SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF 艾丽奥斯生物制药有限公司 2017-04-26 CN disclosed
CN-106573011-A Substituted nucleosides, nucleotides and analogs thereof 艾丽奥斯生物制药有限公司 2017-04-19 CN disclosed
US-8633236-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2014-01-21 US disclosed
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS MCDONALD ANDREW (US) 2013-02-28 US disclosed
US-8329928-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2012-12-11 US disclosed
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS MCDONALD ANDREW (US) 2012-08-16 US disclosed
US-8119678-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2012-02-21 US disclosed
US-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2011-09-22 US disclosed
US-7919524-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2011-04-05 US disclosed
US-20100105767-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2010-04-29 US disclosed
US-7629477-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-12-08 US disclosed
US-7491746-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-20090005580-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2009-01-01 US disclosed
US-20060020008-A1 Treating cell proliferation disorder, anticancer agents CYTOKINETICS, INC. 2006-01-26 US disclosed
US-6924376-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2005-08-02 US disclosed
US-20040082638-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2004-04-29 US 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 (7 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-20060020008-A1 Treating cell proliferation disorder, anticancer agents MKI67, PCNA, TK1 SLC7A5 3236/4885ALDH1A1 2088/4885FKBP5 666/4885
US-20040082638-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 SLC7A5 3608/4885ALDH1A1 2715/4885FKBP5 1151/4885
US-20090005580-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 SLC7A5 3608/4885ALDH1A1 2715/4885FKBP5 1151/4885
US-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 SLC7A5 3608/4885ALDH1A1 2715/4885FKBP5 1151/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 SLC7A5 3608/4885ALDH1A1 2715/4885FKBP5 1151/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 SLC7A5 3608/4885ALDH1A1 2715/4885FKBP5 1151/4885
US-20100105767-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 SLC7A5 3608/4885ALDH1A1 2715/4885FKBP5 1151/4885

“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.