Valine

Valine

SCHEMBL167435

C=C.CC(C)C(N)C(=O)O

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.88
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
TP53 P04637 1/20 0.40
DPP4 P27487 1/20 0.38
FAP Q12884 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
LAP3 P28838 1/20 0.38
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
GRM1 Q13255 1/20 0.37
GRM2 Q14416 1/20 0.37
USP2 O75604 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
GABRP O00591 3/20 0.35
GABRD O14764 3/20 0.35
GABRA1 P14867 3/20 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
Valine SCHEMBL167437 1.00 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL28760105 0.94 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL20981544 0.94 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL28747338 0.94 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL288203 0.94 SLC7A5 (1.00) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL41225 0.94 SLC7A5 (1.00) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL31618928 0.94
Valine SCHEMBL8516 0.94
Valine SCHEMBL2785563 0.94 SLC7A5 (1.00) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL43678 0.94

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 15 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-2011057387-A1 NITRIC OXIDE AMINO ACID ESTERS FOR THE TREATMENT OF CHRONIC PAIN ORAL DELIVERY TECHNOLOGY LTD . (CA) 2011-05-19 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

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 52/4885SLC1A3 12/4885SLC1A2 17/4885
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 257/4885SLC1A3 36/4885SLC1A2 46/4885
US-20140148438-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER FOR TREATMENT OF PULMONARY HYPERTENSION AND OTHER RESPIRATORY CONDITIONS NOS2, NOS1, NOS3 SLC7A5 62/4885SLC1A3 23/4885SLC1A2 37/4885
US-20120289597-A1 NITRIC OXIDE AMINO ACID ESTERS FOR THE TREATMENT OF CHRONIC PAIN NOS2, NOS3, NOS1 SLC7A5 478/4885SLC1A3 52/4885SLC1A2 48/4885
US-20150093338-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER FOR TREATMENT OF PULMONARY HYPERTENSION AND OTHER RESPIRATORY CONDITIONS NOS2, NOS1, NOS3 SLC7A5 62/4885SLC1A3 23/4885SLC1A2 37/4885
US-20170105959-A1 COMPOSITIONS CONTAINING NITRIC OXIDE AMINO ACID ESTERS AND METHODS FOR IMPROVING SEXUAL PERFORMANCE NOS1, NOS2, NOS3 SLC7A5 190/4885SLC1A3 79/4885SLC1A2 80/4885

“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.