Phosphoric Acid

Phosphoric Acid

SCHEMBL28041604

C1=CN(Cc2ccccc2)CN1Cc1ccccc1.O=P(O)(O)O

nearest known ligand 0.45

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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 1/20 0.39
▸ F2 P00734 1/20 0.45
▸ PLG P00747 1/20 0.45
▸ ELANE P08246 1/20 0.45
▸ CTSG P08311 1/20 0.45
▸ CMA1 P23946 1/20 0.45
▸ CTRC Q99895 1/20 0.45
▸ CYP2C19 P33261 2/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ FUCA1 P04066 2/20 0.42
▸ TSHR P16473 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ANPEP P15144 3/20 0.41
▸ ERAP1 Q9NZ08 2/20 0.41
▸ ERAP2 Q6P179 1/20 0.41
▸ FDPS P14324 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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 SCHEMBL28041649 0.88 MC4R (0.39) CYP2C19SIGMAR1FUCA1TSHRCYP2D6
SCHEMBL1044027 0.88 SIGMAR1 (0.52) F2PLGELANECTSGCMA1
Hydrochloric Acid SCHEMBL9343069 0.86 SIGMAR1 (0.50) F2PLGELANECTSGCMA1
Bromide SCHEMBL1046639 0.86 SIGMAR1 (0.50) F2PLGELANECTSGCMA1
Acetic Acid SCHEMBL28332665 0.85 CYP2D6 (0.49) F2PLGELANECTSGCMA1
SCHEMBL27794625 0.82 MC4R (0.37) SIGMAR1FUCA1TSHRCYP2D6ANPEP
SCHEMBL28041594 0.81 PDE4A (0.44) F2PLGELANECTSGCMA1
SCHEMBL1047038 0.80 AKR1B1 (0.59) CYP2C19TSHRPOLBCYP2D6CYP2C9
Hydrochloric Acid SCHEMBL1178991 0.79 AKR1B1 (0.57) CYP2C19TSHRPOLBCYP2D6CYP2C9
SCHEMBL3457652 0.78 SIGMAR1 (0.43) F2PLGELANECTSGCMA1

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
CN-105209419-B Composition for preparing terephthalic acid 信实工业公司 2018-04-13 — — CN disclosed
CN-105209419-A Composition for preparing terephthalic acid RELIANCE IND LTD 2015-12-30 — — CN disclosed
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