SCHEMBL9980878

SCHEMBL9980878

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nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.56
NOS1 P29475 3/20 0.56
NOS2 P35228 3/20 0.56
SLC7A5 Q01650 2/20 0.44
SLC1A5 Q15758 1/20 0.44
GRIK1 P39086 4/20 0.43
PTGS1 P23219 2/20 0.42
SLC7A11 Q9UPY5 1/20 0.42
IDO1 P14902 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC1A3 P43003 4/20 0.40
SLC1A2 P43004 4/20 0.40
SLC1A1 P43005 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRIK2 Q13002 3/20 0.39
GRM8 O00222 1/20 0.39
GRM6 O15303 1/20 0.39
GRIN2D O15399 1/20 0.39

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
SCHEMBL598363 1.00 NOS3 (0.56) NOS3NOS1NOS2SLC7A5SLC1A5
SCHEMBL770417 1.00 NOS3 (0.56) NOS3NOS1NOS2SLC7A5SLC1A5
SCHEMBL770416 1.00 NOS3 (0.56) NOS3NOS1NOS2SLC7A5SLC1A5
Hydrochloric Acid SCHEMBL7592766 0.98 NOS1 (0.55) NOS3NOS1NOS2SLC7A5SLC1A5
Hydrochloric Acid SCHEMBL19209653 0.98 NOS1 (0.55) NOS3NOS1NOS2SLC7A5SLC1A5
Hydrogen Sulfide SCHEMBL22463012 0.98 NOS3 (0.55) NOS3NOS1NOS2SLC7A5SLC1A5
Hydrogen Sulfide SCHEMBL27825542 0.98 NOS3 (0.55) NOS3NOS1NOS2SLC7A5SLC1A5
SCHEMBL3868558 0.94 NOS3 (0.51) NOS3NOS1NOS2SLC7A5SLC1A5
Serine SCHEMBL3868560 0.92 NOS3 (0.50) NOS3NOS1NOS2SLC7A5SLC1A5
Serine SCHEMBL3868555 0.92 NOS3 (0.50) NOS3NOS1NOS2SLC7A5SLC1A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312890-A1 ACETYLATED AMINO ACIDS AS ANTI-PLATELET AGENTS, NUTRITIONAL AND VITAMIN SUPPLEMENTS SIGNATURE R&D HOLDINGS, LLC (US) 2011-12-22 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 (1 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-20110312890-A1 ACETYLATED AMINO ACIDS AS ANTI-PLATELET AGENTS, NUTRITIONAL AND VITAMIN SUPPLEMENTS PLTP, GP6, PDGFA NOS3 414/4885NOS1 849/4885NOS2 661/4885

“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.