Valine

Valine

SCHEMBL168080

CC(C)C(N)C(=O)O.O=[N+]([O-])OCCO[N+](=O)[O-].OCCO

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.50
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
CPA1 P15085 1/20 0.32
USP2 O75604 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
NOS1 P29475 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 SCHEMBL167937 0.94 SLC7A5 (0.47) SLC7A5PTGS1PTGS2SLC1A3SLC1A2
Valine SCHEMBL168082 0.84 SLC7A5 (0.60) SLC7A5SLC1A3SLC1A2SLC1A1CPA1
Valine SCHEMBL15656624 0.80 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1USP2
Valine SCHEMBL10351713 0.80 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1USP2
SCHEMBL257159 0.79 PTGS2 (0.43) SLC7A5PTGS1PTGS2
SCHEMBL166762 0.79 PTGS2 (0.43) SLC7A5PTGS1PTGS2
SCHEMBL257131 0.79 PTGS2 (0.43) SLC7A5PTGS1PTGS2
Cadaverine Tartrate SCHEMBL1666549 0.78 PTGS2 (0.41) SLC7A5PTGS1PTGS2
Norvaline SCHEMBL166373 0.78 SLC1A2 (0.41) SLC1A3SLC1A2SLC1A1NOS1
Valine SCHEMBL167939 0.77 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2SLC1A1CPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170105959-A1 COMPOSITIONS CONTAINING NITRIC OXIDE AMINO ACID ESTERS AND METHODS FOR IMPROVING SEXUAL PERFORMANCE SMARTEK INTERNATIONAL, INC. 2017-04-20 US disclosed
US-20150202175-A1 Nitric Oxide Amino Acid Esters for Improving Vascular Circulation, and Prophylaxis or Treatment of a Condition Associated with Impaired Blood Circulation FARBER MICHAEL (US) 2015-07-23 US disclosed
US-20150093338-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER FOR TREATMENT OF PULMONARY HYPERTENSION AND OTHER RESPIRATORY CONDITIONS FARBER MICHAEL (US) 2015-04-02 US disclosed
US-8946160-B2 Nitric oxide amino acid esters for improving vascular circulation, and prophylaxis or treatment of a condition associated with impaired blood circulation ORAL DELIVERY TECHNOLOGY LTD. (CA) 2015-02-03 US disclosed
US-8883844-B2 Nitric oxide releasing amino acid ester for treatment of pulmonary hypertension and other respiratory conditions NITROGENIX INC. (VG) 2014-11-11 US disclosed
US-20140148438-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER FOR TREATMENT OF PULMONARY HYPERTENSION AND OTHER RESPIRATORY CONDITIONS NITROGENIX, INC. (VG) 2014-05-29 US disclosed
US-20130287866-A1 Nitric Oxide Amino Acid Esters for Improving Vascular Circulation, and Prophylaxis or Treatment of a Condition Associated with Impaired Blood Circulation ORAL DELIVERY TECHNOLOGY LTD. (CA) 2013-10-31 US disclosed
EP-2632453-A1 NITRIC OXIDE AMINO ACID ESTERS FOR IMPROVING VASCULAR CIRCULATION, AND PROPHYLAXIS OR TREATMENT OF A CONDITION ASSOCIATED WITH IMPAIRED BLOOD CIRCULATION Oral Delivery Technology Ltd. (CA) 2013-09-04 EP disclosed
US-20120289597-A1 NITRIC OXIDE AMINO ACID ESTERS FOR THE TREATMENT OF CHRONIC PAIN ORAL DELIVERY TECHNOLOGY LTD. (CA) 2012-11-15 US disclosed
WO-2012088597-A1 NITRIC OXIDE AMINO ACID ESTERS FOR ENHANCEMENT OF PHYSICAL OR MUSCULAR PERFORMANCE AND THE TREATMENT OF MUSCULAR OR NEUROMUSCULAR DISEASES ORAL DELIVERY TECHNOLOGY LTD. (CA) 2012-07-05 WO disclosed
WO-2012079146-A1 NITRIC OXIDE AMINO ACID ESTERS FOR IMPROVING VASCULAR CIRCULATION, AND PROPHYLAXIS OR TREATMENT OF A CONDITION ASSOCIATED WITH IMPAIRED BLOOD CIRCULATION ORAL DELIVERY TECHNOLOGY LTD. (CA) 2012-06-21 WO disclosed
WO-2012037665-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER FOR TREATMENT OF PULMONARY HYPERTENSION AND OTHER RESPIRATORY CONDITIONS ORAL DELIVERY TECHNOLOGY LTD. (CA) 2012-03-29 WO disclosed
WO-2012027827-A1 NITRIC OXIDE AMINO ACID ESTERS FOR SKIN REJUVENATION ORAL DELIVERY TECHNOLOGY LTD. (CA) 2012-03-08 WO disclosed
WO-2011057386-A1 COMPOSITION AND PROPHYLACTIC DEVICE FOR ENHANCING SEXUAL PERFORMANCE OR PLEASURE ORAL DELIVERY TECHNOLOGY LTD. (CA) 2011-05-19 WO disclosed
WO-2011057387-A1 NITRIC OXIDE AMINO ACID ESTERS FOR THE TREATMENT OF CHRONIC PAIN ORAL DELIVERY TECHNOLOGY LTD . (CA) 2011-05-19 WO disclosed
WO-2011041872-A1 NITRIC OXIDE AMINO ACID ESTER COMPOUNDS FOR THE PROPHYLAXIS OF ANGINA PECTORIS NITROGENIX INC. (VG) 2011-04-14 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 (6 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-20150202175-A1 Nitric Oxide Amino Acid Esters for Improving Vascular Circulation, and Prophylaxis or Treatment of a Condition Associated with Impaired Blood Circulation NOS1, NOS2, NOS3 SLC7A5 52/4885PTGS1 76/4885PTGS2 166/4885
US-20130287866-A1 Nitric Oxide Amino Acid Esters for Improving Vascular Circulation, and Prophylaxis or Treatment of a Condition Associated with Impaired Blood Circulation NOS1, NOS2, NOS3 SLC7A5 257/4885PTGS1 75/4885PTGS2 151/4885
US-20140148438-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER FOR TREATMENT OF PULMONARY HYPERTENSION AND OTHER RESPIRATORY CONDITIONS NOS2, NOS1, NOS3 SLC7A5 62/4885PTGS1 84/4885PTGS2 145/4885
US-20120289597-A1 NITRIC OXIDE AMINO ACID ESTERS FOR THE TREATMENT OF CHRONIC PAIN NOS2, NOS3, NOS1 SLC7A5 478/4885PTGS1 6/4885PTGS2 19/4885
US-20150093338-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER FOR TREATMENT OF PULMONARY HYPERTENSION AND OTHER RESPIRATORY CONDITIONS NOS2, NOS1, NOS3 SLC7A5 62/4885PTGS1 84/4885PTGS2 145/4885
US-20170105959-A1 COMPOSITIONS CONTAINING NITRIC OXIDE AMINO ACID ESTERS AND METHODS FOR IMPROVING SEXUAL PERFORMANCE NOS1, NOS2, NOS3 SLC7A5 190/4885PTGS1 358/4885PTGS2 734/4885

“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.