Phosphoric Acid

Phosphoric Acid

SCHEMBL6342113

CCCCCN(C)c1ccc2c(c1)C(=O)c1ccccc1C2=O.O=P(O)(O)O

nearest known ligand 0.51

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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
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
TSHR P16473 2/20 0.51
TRPV1 Q8NER1 7/20 0.44
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 3/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38

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 SCHEMBL6342195 0.91 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Phosphoric Acid SCHEMBL6340607 0.85 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Pyrophosphoric Acid SCHEMBL6339418 0.81 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Phosphoric Acid SCHEMBL6334400 0.79 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL28055855 0.79 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Phosphoric Acid SCHEMBL6338455 0.78 ALDH1A1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9312227 0.76 NPC1 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Phosphoric Acid SCHEMBL6335789 0.76 RAB9A (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL18984697 0.76 MAPK1 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9513164 0.75 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949250-B2 Selective algaecides for control of cyanochloronta THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2005-09-27 US disclosed
US-20040116536-A1 Novel selective algaecides for control of cyanochloronta UNIVERSITY OF MISSISSIPPI, THE 2004-06-17 US disclosed