Phosphoric Acid

Phosphoric Acid

SCHEMBL3115123

O=P(O)(O)O.SC1CN(Cc2ccccc2)C1

nearest known ligand 0.57

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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 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
FUCA1 P04066 2/20 0.54
S1PR5 Q9H228 3/20 0.51
S1PR1 P21453 1/20 0.51
SIGMAR1 Q99720 1/20 0.47
GBA1 P04062 1/20 0.46
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
GRIN2B Q13224 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2920284 0.89 CYP1A2 (0.68) CYP1A2CYP3A4CYP2D6CYP2C19FUCA1
Hydrochloric Acid SCHEMBL3104474 0.87 CYP1A2 (0.66) CYP1A2CYP3A4CYP2D6CYP2C19FUCA1
Sulfuric Acid SCHEMBL3098614 0.86 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C19FUCA1
Phosphoric Acid SCHEMBL3105155 0.83 S1PR1 (0.54) S1PR5S1PR1GBA1ALDH1A1POLB
Phosphoric Acid SCHEMBL3104355 0.83 S1PR5 (0.53) S1PR5
Phosphoric Acid SCHEMBL3110216 0.81 KDM4E (0.54) S1PR5S1PR1SIGMAR1ALDH1A1POLB
Phosphoric Acid SCHEMBL3109473 0.80 DRD4 (0.50) S1PR5S1PR1SIGMAR1SMN1; SMN2
SCHEMBL171303 0.75 CYP1A2 (0.81) CYP1A2CYP3A4CYP2D6CYP2C19SIGMAR1
SCHEMBL6399821 0.75 CYP1A2 (0.81) CYP1A2CYP3A4CYP2D6CYP2C19SIGMAR1
SCHEMBL7046732 0.74 PDPK1 (0.53) FUCA1S1PR5S1PR1SIGMAR1GBA1

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
US-20100274003-A1 ACID ADDITION SALTS OF SYNTHETIC INTERMEDIATES FOR CARBAPENEM ANTIBIOTICS AND PROCESSES FOR PREPARING THE SAME Kukje Pharm Ind co. Ltd (KR) 2010-10-28 US disclosed
EP-2188287-A2 ACID ADDITION SALTS OF SYNTHETIC INTERMEDIATES FOR CARBAPENEM ANTIBIOTICS AND PROCESSES FOR PREPARING THE SAME Kukje Pharm. Ind. Co., Ltd. (KR) 2010-05-26 EP disclosed
WO-2009038328-A2 ACID ADDITION SALTS OF SYNTHETIC INTERMEDIATES FOR CARBAPENEM ANTIBIOTICS AND PROCESSES FOR PREPARING THE SAME KUKJE PHARM. IND. CO., LTD. (KR) 2009-03-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100274003-A1 ACID ADDITION SALTS OF SYNTHETIC INTERMEDIATES FOR CARBAPENEM ANTIBIOTICS AND PROCESSES FOR PREPARING THE SAME SLC7A5, SI, ADSL CYP1A2 2712/4885CYP3A4 1200/4885CYP2D6 2244/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.