SCHEMBL9274513

SCHEMBL9274513

Cc1ncc(CP(=O)(O)O)c(C=O)c1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.68
▸ PTGS1 P23219 1/20 0.68
▸ ACP1 P24666 1/20 0.68
▸ PDE4A P27815 1/20 0.68
▸ P2RX1 P51575 1/20 0.68
▸ P2RX2 Q9UBL9 1/20 0.68
▸ KDM4E B2RXH2 3/20 0.67
▸ ALDH1A1 P00352 3/20 0.67
▸ HPGD P15428 3/20 0.67
▸ LMNA P02545 2/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ AOX1 Q06278 1/20 0.67
▸ TRIM24 O15164 1/20 0.65
▸ TRIM33 Q9UPN9 1/20 0.65
▸ PDXK O00764 1/20 0.46
▸ PNPO Q9NVS9 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.40
▸ PGK1 P00558 1/20 0.40
▸ PGK2 P07205 1/20 0.40

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
Pyridoxal Phosphate Anhydrous SCHEMBL10534222 0.89 P2RX2 (0.88) ESR1PTGS1ACP1PDE4AP2RX1
Pyridoxal SCHEMBL30616198 0.84 KDM4E (0.88) ESR1PTGS1ACP1PDE4AP2RX1
Pyridoxal SCHEMBL5051301 0.84 KDM4E (0.88) ESR1PTGS1ACP1PDE4AP2RX1
Pyridoxal SCHEMBL18726347 0.84 KDM4E (0.88) ESR1PTGS1ACP1PDE4AP2RX1
Pyridoxal SCHEMBL27131 0.84 KDM4E (0.88) ESR1PTGS1ACP1PDE4AP2RX1
Pyridoxal SCHEMBL9559097 0.84 KDM4E (0.88) ESR1PTGS1ACP1PDE4AP2RX1
Pyridoxal SCHEMBL27627958 0.84 KDM4E (0.88) ESR1PTGS1ACP1PDE4AP2RX1
Pyridoxal SCHEMBL28454700 0.84 KDM4E (0.88) ESR1PTGS1ACP1PDE4AP2RX1
Pyridoxal SCHEMBL5498057 0.84 KDM4E (0.88) ESR1PTGS1ACP1PDE4AP2RX1
Pyridoxal SCHEMBL6701817 0.83 KDM4E (0.85) ESR1PTGS1ACP1PDE4AP2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106360742-A Nutritious food composition applied to fat patient or fat-reducing operation patient 华宝香精股份有限公司 2017-02-01 — — CN disclosed
EP-0290047-B1 Dipyridoxyl phosphate nuclear magnetic resonance imagery contrast agents NYCOMED SALUTAR INC (US) 1995-02-01 — — EP disclosed
EP-0290041-B1 Radioactive metal chelates of dipyridoxyl phosphate NYCOMED SALUTAR INC (US) 1993-12-08 — — EP disclosed
US-5223243-A Dipyridoxyl phosphate chelating compound intermediates useful as NMRI contrast agents SALUTAR, INC. (US) 1993-06-29 — — US disclosed
US-5130431-A Chelate compound intermediates an NMR contrast agents SALUTAR, INC. (US) 1992-07-14 — — US disclosed
US-5091169-A Water soluble, stable chelates with paramagnetic metal ions SALUTAR, INC. (US) 1992-02-25 — — US disclosed
US-4992555-A Certain dipyridylphosphate chelatable compounds capable of forming metal ion chelates SALUTAR, INC. (US) 1991-02-12 — — US disclosed
US-4992554-A Used as contrast agent in nuclear magnetic resonance imagery SALUTAR, INC. (US) 1991-02-12 — — US disclosed
US-4933456-A STABLE, SOLUBLE SALUTAR, INC. (US) 1990-06-12 — — US disclosed
EP-0290041-A2 Radioactive metal chelates of dipyridoxyl phosphate NYCOMED SALUTAR, INC. (US) 1988-11-09 — — EP disclosed
EP-0290047-A2 Dipyridoxyl phosphate nuclear magnetic resonance imagery contrast agents NYCOMED SALUTAR, INC. (US) 1988-11-09 — — EP disclosed
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