SCHEMBL9980804

SCHEMBL9980804

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nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
TDP1 Q9NUW8 1/20 0.40
SLC7A5 Q01650 2/20 0.37
SLC1A5 Q15758 1/20 0.36
SLC1A3 P43003 4/20 0.34
SLC1A2 P43004 4/20 0.34
SLC1A1 P43005 4/20 0.34
IDO1 P14902 1/20 0.34
GRIK1 P39086 1/20 0.33
TSHR P16473 1/20 0.33
P2RY10 O00398 2/20 0.32
GPR174 Q9BXC1 2/20 0.32
CASR P41180 1/20 0.32
PTGS1 P23219 1/20 0.31
SLC7A11 Q9UPY5 1/20 0.31

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 0.84 NOS3 (0.56) NOS3NOS1NOS2TDP1SLC7A5
SCHEMBL770416 0.84 NOS3 (0.56) NOS3NOS1NOS2TDP1SLC7A5
SCHEMBL9980878 0.84 NOS3 (0.56) NOS3NOS1NOS2TDP1SLC7A5
SCHEMBL770417 0.84 NOS3 (0.56) NOS3NOS1NOS2TDP1SLC7A5
SCHEMBL678145 0.84 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL3449733 0.84 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL678144 0.84 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1TSHR
Hydrochloric Acid SCHEMBL7592766 0.82 NOS1 (0.55) NOS3NOS1NOS2TDP1SLC7A5
Hydrogen Sulfide SCHEMBL22463012 0.82 NOS3 (0.55) NOS3NOS1NOS2TDP1SLC7A5
Hydrochloric Acid SCHEMBL19209653 0.82 NOS1 (0.55) NOS3NOS1NOS2TDP1SLC7A5

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.