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Sugi Predict / Compounds / SCHEMBL31452907

SCHEMBL31452907

SCHEMBL31452907

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nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.58
▸ CTSB P07858 2/20 0.58
▸ CXCR4 P61073 4/20 0.55
▸ NPY1R P25929 1/20 0.53
▸ NPY2R P49146 1/20 0.53
▸ NPY4R P50391 1/20 0.53
▸ NPY5R Q15761 1/20 0.53
▸ DPP3 Q9NY33 4/20 0.53
▸ F13A1 P00488 2/20 0.51
▸ TGM2 P21980 2/20 0.51
▸ KISS1R Q969F8 2/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ CCKBR P32239 2/20 0.48
▸ GLP1R P43220 2/20 0.48
▸ IL23R Q5VWK5 1/20 0.48
▸ PRMT1 Q99873 1/20 0.47

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
SCHEMBL30272465 0.87 CXCR4 (0.58) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30906366 0.87 NPY1R (0.53) CAPN1CTSBCXCR4NPY1RNPY2R
SCHEMBL31385536 0.86 CAPN1 (0.58) CAPN1CTSBCXCR4NPY1RNPY2R
SCHEMBL31579553 0.85 NTSR2 (0.56) CAPN1CTSBCXCR4DPP3KISS1R
SCHEMBL31590312 0.84 CXCR4 (0.64) CAPN1CTSBCXCR4NPY1RNPY2R
SCHEMBL29416120 0.84 GLP1R (0.58) CXCR4CCKBRGLP1R
SCHEMBL30448786 0.84 DPP3 (0.57) CAPN1CTSBCXCR4NPY1RNPY2R
SCHEMBL30495726 0.83 NPY1R (0.63) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL9728122 0.83 CAPN1 (0.64) CAPN1CTSBCXCR4DPP3KISS1R
SCHEMBL30277706 0.83 OPRD1 (0.56) CAPN1CTSBKISS1ROPRD1

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
CN-119751581-A Cyclic peptide molecule of specific targeting EphA2 and application thereof in preparation of tumor diagnosis reagent or tumor treatment drug 上海交通大学 2025-04-04 — — CN claimed
CN-119751581-A Cyclic peptide molecule of specific targeting EphA2 and application thereof in preparation of tumor diagnosis reagent or tumor treatment drug 上海交通大学 2025-04-04 — — CN disclosed
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