Phosphoric Acid

Phosphoric Acid

SCHEMBL31122117

NC(=O)c1csc(-c2cn[nH]c2)n1.O=P(O)(O)O

nearest known ligand 0.52

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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 16)

geneUniProtsupporting neighboursconfidence
▸ SCN9A known ✓ Q15858 1/20 0.40
▸ CHEK1 O14757 1/20 0.47
▸ HTR2B P41595 1/20 0.43
▸ CYP2C19 P33261 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ DNM1L O00429 2/20 0.38
▸ IKBKE Q14164 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ HDAC6 Q9UBN7 3/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ AR P10275 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL2728413 0.94 HTR2B (0.48) CHEK1HTR2BCYP2C19ACHECYP2C9
Hydrochloric Acid SCHEMBL31122121 0.93 CHEK1 (0.47) CHEK1HTR2BCYP2C19ACHECYP2C9
Formic Acid SCHEMBL31708359 0.89 CHEK1 (0.44) CHEK1HTR2BCYP2C19ACHECYP2C9
Succinic Acid SCHEMBL31122141 0.86 CHEK1 (0.43) CHEK1HTR2BCYP2C19ACHECYP2C9
Cadaverine Tartrate SCHEMBL31122127 0.85 CHEK1 (0.42) CHEK1HTR2BCYP2C19ACHECYP2C9
Cadaverine Tartrate SCHEMBL31122154 0.85 CHEK1 (0.42) CHEK1HTR2BCYP2C19ACHECYP2C9
SCHEMBL3952859 0.81 ALDH1A1 (0.54) CHEK1ACHEDNM1LHDAC6HDAC1
SCHEMBL31122153 0.80 CHEK1 (0.48) CHEK1HTR2BCYP2C19ACHECYP2C9
Citric Acid SCHEMBL31122150 0.80 CHEK1 (0.41) CHEK1HTR2BCYP2C19ACHECYP2C9
SCHEMBL31122128 0.78 CHEK1 (0.47) CHEK1DNM1LHDAC6HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118510771-A IRAK inhibitors for the treatment of conditions associated with cytokine release associated with respiratory viral infection 里格尔药品股份有限公司 2024-08-16 — — CN disclosed
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