Phosphoric Acid

Phosphoric Acid

SCHEMBL6965241

CCC(C)NC1CCc2[nH]c3ccc(C(=O)Nc4cccnc4)cc3c2C1.O=P(O)(O)O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

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
OPRM1 known ✓ P35372 1/20 0.44
MAPKAPK2 P49137 4/20 0.53
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.48
MAP2K1 Q02750 1/20 0.48
HTR1A P08908 2/20 0.47
HTR1B P28222 2/20 0.47
HTR1D P28221 1/20 0.47
KMT2A Q03164 2/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
HTR1E P28566 1/20 0.44
HTR7 P34969 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
MEN1 O00255 1/20 0.43
RAB9A P51151 2/20 0.42
HTR1F P30939 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL6962343 0.84 ALDH1A1 (0.48) MAPKAPK2ALDH1A1LMNAHTR1AHTR1B
Phosphoric Acid SCHEMBL6965225 0.84 MAPKAPK2 (0.56) MAPKAPK2ALDH1A1LMNAMAPK1MAP2K1
SCHEMBL6964608 0.81 ALDH1A1 (0.51) ALDH1A1LMNAHTR1AHTR1BHTR1D
SCHEMBL7662558 0.79 HTR1F (0.67) ALDH1A1LMNAHTR1AHTR1BHTR1D
Hydrochloric Acid SCHEMBL7666106 0.78 HTR1F (0.66) ALDH1A1LMNAHTR1AHTR1BHTR1D
Oxalic Acid SCHEMBL6959608 0.77 ALDH1A1 (0.53) ALDH1A1LMNAHTR1AHTR1BHTR1D
SCHEMBL8110315 0.77 HTR1F (0.52) ALDH1A1LMNAHTR1AHTR1BHTR1D
SCHEMBL7657736 0.76 HTR1F (0.49) MAPKAPK2ALDH1A1HTR1AHTR1BHTR1D
SCHEMBL8100843 0.76 HTR1F (0.49) ALDH1A1LMNAHTR1AHTR1BHTR1D
SCHEMBL8101124 0.74 JAK2 (0.47) ALDH1A1LMNAHTR1AHTR1BHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882726-B1 Carbazol-carboxamides as 5-HT1F agonists LILLY CO ELI (US) 2003-05-21 EP disclosed
US-6221884-B1 Carboxamides useful as 5-HT1F agonists ELI LILLY AND COMPANY 2001-04-24 US disclosed
EP-0882726-A1 Carbazol-carboxamides as 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-12-09 EP disclosed