Phosphoric Acid

Phosphoric Acid

SCHEMBL5071916

CCN(CC)CCCCN(C)c1ccnc2cc(Cl)ccc12.O=P(O)(O)O

nearest known ligand 0.64

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Phosphoric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 known ✓ Q12809 5/20 0.53
ADRA1D known ✓ P25100 1/20 0.49
OPRM1 known ✓ P35372 1/20 0.42
KDM4E B2RXH2 2/20 0.64
HSD17B10 Q99714 2/20 0.64
MAPT P10636 1/20 0.64
NSD1 Q96L73 1/20 0.64
CYP2D6 P10635 5/20 0.53
CHRM2 P08172 3/20 0.53
CHRM1 P11229 3/20 0.53
ADRA2C P18825 3/20 0.53
CYP2C19 P33261 3/20 0.53
CHRM4 P08173 2/20 0.53
CHRM5 P08912 2/20 0.53
ADRA2A P08913 2/20 0.53
ADRA2B P18089 2/20 0.53
CHRM3 P20309 2/20 0.53
TMEM97 Q5BJF2 2/20 0.53
SIGMAR1 Q99720 2/20 0.53
ACE2 Q9BYF1 2/20 0.53

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
SCHEMBL3454549 0.93 KCNH2 (0.60) KDM4EHSD17B10MAPTNSD1KCNH2
SCHEMBL3229048 0.88 CDK1 (0.66) KDM4EHSD17B10MAPTNSD1KCNH2
SCHEMBL1550998 0.84 KDM4E (0.58) KDM4EHSD17B10MAPTNSD1KCNH2
SCHEMBL3454269 0.81 CHRM2 (0.43) KDM4EHSD17B10MAPTNSD1KCNH2
SCHEMBL1695452 0.79 CHRM2 (0.43) KDM4EHSD17B10MAPTNSD1KCNH2
SCHEMBL1550687 0.78 CDK1 (0.62) KDM4EHSD17B10MAPTNSD1KCNH2
SCHEMBL6388962 0.78 CHKA (0.57) KDM4EHSD17B10KCNH2CYP2D6CHRM2
Chloroquine SCHEMBL2785005 0.78 HSD17B10 (1.00) KDM4EHSD17B10MAPTNSD1KCNH2
Chloroquine SCHEMBL40829 0.78 HSD17B10 (1.00) KDM4EHSD17B10MAPTNSD1KCNH2
Chloroquine SCHEMBL16702898 0.78 HSD17B10 (1.00) KDM4EHSD17B10MAPTNSD1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581167-A4 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S DISEASE AND TARDIVE DYSKINESIAS ALPHA RES GROUP LLC (US) 2008-10-29 EP disclosed
EP-1581167-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S DISEASE AND TARDIVE DYSKINESIAS Alpha Research Group, LLC (US) 2005-10-05 EP disclosed
EP-1261340-A4 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S DISEASE ALPHA RES GROUP LLC (US) 2005-05-04 EP disclosed
WO-2004004660-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON’S DISEASE AND TARDIVE DYSKINESIAS ALPHA RESEARCH GROUP, L.L.C. (US) 2004-01-15 WO disclosed
EP-1261340-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S DISEASE Alpha Research Group, LLC (US) 2002-12-04 EP disclosed
WO-2001003649-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S DISEASE ALPHA RESEARCH GROUP, LLC (US) 2001-01-18 WO disclosed