Phosphoric Acid

Phosphoric Acid

SCHEMBL7866413

CCN1CCC(c2csc3c(NC=O)cccc23)CC1.O=P(O)(O)O

nearest known ligand 0.42

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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
DRD2 P14416 3/20 0.42
SLC6A4 P31645 2/20 0.42
DRD3 P35462 3/20 0.35
HTR6 P50406 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRM4 P08173 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
NSD2 O96028 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
CHRM3 P20309 1/20 0.32
PDE4B Q07343 2/20 0.32
PDE7A Q13946 2/20 0.32
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31

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
Phosphoric Acid SCHEMBL7864985 0.84 DRD2 (0.42) DRD2SLC6A4DRD3HTR6HRH3
Phosphoric Acid SCHEMBL7866333 0.80 OPRL1 (0.42) DRD2HTR6KDM4EALDH1A1NOS3
Phosphoric Acid SCHEMBL7867461 0.78 DRD2 (0.41) DRD2SLC6A4DRD3HTR6HRH3
Phosphoric Acid SCHEMBL7866432 0.78 DRD2 (0.44) DRD2SLC6A4DRD3CHRM4NOS3
Phosphoric Acid SCHEMBL7867963 0.78 DRD2 (0.44) DRD2SLC6A4DRD3HTR6ALDH1A1
Maleic Acid SCHEMBL8818532 0.77 PDE4B (0.32) PDE4BPDE7A
Phosphoric Acid SCHEMBL7866262 0.76 HTR1F (0.48) DRD2KDM4EALDH1A1NOS3NOS1
Phosphoric Acid SCHEMBL7867926 0.75 KDM4E (0.41) DRD2HTR6KDM4EALDH1A1HSD17B10
Phosphoric Acid SCHEMBL7867331 0.73 PARP1 (0.36) KDM4EALDH1A1SMN1; SMN2CHRM3PARP1
Oxalic Acid SCHEMBL7866371 0.73 DRD2 (0.43) DRD2SLC6A4DRD3HTR6HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077213-A2 Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 2001-02-21 EP disclosed
US-6046215-A A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed
US-5846982-A Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 1998-12-08 US disclosed
EP-0812826-A1 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1997-12-17 EP disclosed