Valine

Valine

SCHEMBL28726

CC(C)[C@H](N)C(=O)O.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.54
SLC1A3 P43003 3/20 0.43
SLC1A2 P43004 3/20 0.43
SLC1A1 P43005 3/20 0.43
PPARG P37231 4/20 0.39
PPARA Q07869 4/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX5 P09917 1/20 0.37
LMNA P02545 1/20 0.36
HIF1A Q16665 1/20 0.36
NR4A1 P22736 1/20 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
1-Naphthol SCHEMBL10575743 0.81 CYP1A2 (0.55) SLC7A5SLC1A3SLC1A2SLC1A1PPARG
Naphthoic Acid SCHEMBL10392235 0.80 NR4A1 (0.66) SLC7A5SLC1A3SLC1A2SLC1A1PPARG
Valine SCHEMBL28052598 0.78 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1KMT2A
Valine SCHEMBL4582565 0.78 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1KMT2A
Benz(B)Anthracene SCHEMBL9710284 0.78 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
Acetic Acid SCHEMBL29538855 0.76 ALDH1A1 (0.50) KDM4EGAAKMT2AALDH1A1CYP1A2
Acetic Acid SCHEMBL28706282 0.76 ALDH1A1 (0.50) KDM4EGAAKMT2AALDH1A1CYP1A2
Acetic Acid SCHEMBL28736368 0.76 ALDH1A1 (0.50) KDM4EGAAKMT2AALDH1A1CYP1A2
Carbamic Acid SCHEMBL15123720 0.76 ALDH1A1 (0.50) KDM4EGAAKMT2AALDH1A1CYP1A2
Carbamic Acid SCHEMBL9232567 0.76 ALDH1A1 (0.50) KDM4EGAAKMT2AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2608874-A1 SEPARATION OF NANOPARTICLES Yeda Research and Development Co. Ltd. (IL) 2013-07-03 EP claimed
WO-2012025928-A1 SEPARATION OF NANOPARTICLES YEDA RESEARCH AND DEVELOPMENT CO.LTD (IL) 2012-03-01 WO claimed
WO-2000052099-A1 BICHROMOPHORIC PERYLENE-3,4-DICARBOXIMIDES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-09-08 WO claimed
US-9623381-B2 Separation of nanoparticles YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-04-18 US disclosed
EP-3112013-A1 PERYLENE DIIMDE BASED MEMBRANE, PREPARATION AND RECYCLING THEREOF, AND USE FOR NANOPARTICLE SEPARATION THEREOF Yeda Research and Development Co. Ltd (IL) 2017-01-04 EP disclosed
US-20150375180-A1 SEPARATION OF NANOPARTICLES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2015-12-31 US disclosed
US-9067181-B2 Separation of nanoparticles YEDA RESEARCH AND DEVELOPMENT CO. LTD. (US) 2015-06-30 US disclosed
US-20130303769-A1 SEPARATION OF NANOPARTICLES YEDA RESEARCH AND DEVELOPMENT CO. LTD (IL) 2013-11-14 US disclosed
EP-2608874-A1 SEPARATION OF NANOPARTICLES Yeda Research and Development Co. Ltd. (IL) 2013-07-03 EP disclosed
WO-2012025928-A1 SEPARATION OF NANOPARTICLES YEDA RESEARCH AND DEVELOPMENT CO.LTD (IL) 2012-03-01 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 (2 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-20150375180-A1 SEPARATION OF NANOPARTICLES NCL, CD63, PARN SLC7A5 1112/4885SLC1A3 2314/4885SLC1A2 2889/4885
US-20130303769-A1 SEPARATION OF NANOPARTICLES NCL, CD63, PARN SLC7A5 1112/4885SLC1A3 2314/4885SLC1A2 2889/4885

“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.