SCHEMBL5983789

SCHEMBL5983789

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nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.45
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
MME P08473 3/20 0.40
TDP1 Q9NUW8 2/20 0.39
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
CA2 P00918 1/20 0.39
MAPK1 P28482 1/20 0.39
CPA1 P15085 2/20 0.38

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
SCHEMBL5983788 1.00 FOLH1 (0.45) FOLH1SLC1A3SLC1A2SLC1A1MME
SCHEMBL1199396 1.00 FOLH1 (0.45) FOLH1SLC1A3SLC1A2SLC1A1MME
SCHEMBL1199395 1.00 FOLH1 (0.45) FOLH1SLC1A3SLC1A2SLC1A1MME
SCHEMBL1716335 0.84 SLC1A3 (0.58) SLC1A3SLC1A2SLC1A1TDP1CHRM1
SCHEMBL8314295 0.84 SLC1A3 (0.58) SLC1A3SLC1A2SLC1A1TDP1CHRM1
SCHEMBL1954749 0.84 SLC1A3 (0.58) FOLH1SLC1A3SLC1A2SLC1A1MME
SCHEMBL1198437 0.83 CHRM1 (0.52) FOLH1SLC1A3SLC1A2SLC1A1MME
SCHEMBL1198439 0.83 CHRM1 (0.52) FOLH1SLC1A3SLC1A2SLC1A1MME
SCHEMBL21052490 0.83 SLC1A3 (0.52) FOLH1SLC1A3SLC1A2SLC1A1MME
SCHEMBL11319029 0.82 SLC1A3 (0.56) FOLH1SLC1A3SLC1A2SLC1A1MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670452-A2 METHOD OF USE OF AMINOACIDS HAVING AFFINITY FOR THE A2D PROTEIN Warner-Lambert Company LLC (US) 2006-06-21 EP disclosed
WO-2005030184-A2 THERAPEUTIC BETA AMINOACIDS WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO disclosed