Phosphoric Acid

Phosphoric Acid

SCHEMBL7867461

CCN1CCC(c2cc3cccc(NC=O)c3s2)CC1.O=P(O)(O)O

nearest known ligand 0.41

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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 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR1A P08908 2/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
CHRM3 P20309 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HTR3A P46098 4/20 0.32
CHRNA7 P36544 3/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
DRD3 P35462 1/20 0.31
HTR6 P50406 1/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
TP53 P04637 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
Oxalic Acid SCHEMBL8820694 0.89 HTR3A (0.39) DRD2SLC6A4HTR1AKDM4EALDH1A1
Phosphoric Acid SCHEMBL7867952 0.79 DRD2 (0.45) DRD2SLC6A4HTR1AKDM4EHTR3A
Phosphoric Acid SCHEMBL7866413 0.78 DRD2 (0.42) DRD2SLC6A4HTR1AKDM4EALDH1A1
Phosphoric Acid SCHEMBL7870844 0.78 KDM4E (0.34) KDM4EALDH1A1HSD17B10CHRM3HRH3
Phosphoric Acid SCHEMBL7867446 0.78 SLC6A4 (0.44) DRD2SLC6A4HTR1AKDM4EHTR3A
Phosphoric Acid SCHEMBL7867331 0.74 PARP1 (0.36) KDM4EALDH1A1SMN1; SMN2CHRM3KMT2A
Phosphoric Acid SCHEMBL7864985 0.74 DRD2 (0.42) DRD2SLC6A4HTR1AKDM4EALDH1A1
SCHEMBL8647833 0.74 CHRM3 (0.34) DRD2KDM4EALDH1A1HSD17B10CHRM3
Phosphoric Acid SCHEMBL7867933 0.73 CHRM3 (0.32) DRD2SLC6A4CHRM3CHRNA7
Oxalic Acid SCHEMBL7870894 0.72 CHRNA7 (0.43) DRD2SLC6A4HTR1AKDM4EALDH1A1

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