SCHEMBL30694316

SCHEMBL30694316

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nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.52
▸ LGALS3 P17931 5/20 0.46
▸ ALDH1A1 P00352 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LGALS8 O00214 1/20 0.41
▸ LGALS4 P56470 1/20 0.41
▸ CD69 Q07108 1/20 0.38
▸ NOD2 Q9HC29 1/20 0.38
▸ CHIA Q9BZP6 1/20 0.37
▸ LGALS1 P09382 1/20 0.36
▸ LGALS7; LGALS7B P47929 1/20 0.36

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
SCHEMBL23631136 1.00 MAPK1 (0.52) MAPK1LGALS3ALDH1A1THRBKDM4E
SCHEMBL19521448 1.00 MAPK1 (0.52) MAPK1LGALS3ALDH1A1THRBKDM4E
SCHEMBL21067800 1.00 MAPK1 (0.52) MAPK1LGALS3ALDH1A1THRBKDM4E
SCHEMBL4258624 1.00 MAPK1 (0.52) MAPK1LGALS3ALDH1A1THRBKDM4E
SCHEMBL4322755 1.00 MAPK1 (0.52) MAPK1LGALS3ALDH1A1THRBKDM4E
SCHEMBL30089312 0.91 LGALS3 (0.54) MAPK1LGALS3ALDH1A1THRBLGALS8
SCHEMBL29535303 0.90 MAPK1 (0.53) MAPK1LGALS3ALDH1A1THRBKDM4E
SCHEMBL29535351 0.90 MAPK1 (0.53) MAPK1LGALS3ALDH1A1THRBKDM4E
SCHEMBL30694301 0.89 MAPK1 (0.62) MAPK1LGALS3ALDH1A1THRBKDM4E
SCHEMBL29535436 0.89 MAPK1 (0.62) MAPK1LGALS3ALDH1A1THRBKDM4E

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
WO-2024010609-A1 PRISTINE GRAPHENE BASED BIOSENSOR FOR BIOMARKER DETECTION AND RELATED CORE PARTICLES, MATERIALS COMPOSITIONS METHODS AND SYSTEMS HAWKEYE BIO, LIMITED (IE) 2024-01-11 — — WO disclosed
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