Phosphoric Acid

Phosphoric Acid

SCHEMBL595617

O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.OC[C@H]1O[C@@H](n2ccc3cc(-c4ccccc4)ccc32)C[C@@H]1O

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 16)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 known ✓ P08588 1/20 0.41
▸ TYMS P04818 2/20 0.45
▸ ADK P55263 1/20 0.41
▸ DNMT1 P26358 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ TK1 P04183 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SLC5A2 P31639 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ DUT P33316 2/20 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
SCHEMBL594779 0.94 ADK (0.45) TYMSADKADRB1DNMT1TK1
SCHEMBL594778 0.94 ADK (0.45) TYMSADKADRB1DNMT1TK1
Phosphoric Acid SCHEMBL595057 0.85 LMNA (0.45) ADRB1DNMT1POLBTK1LMNA
SCHEMBL595618 0.82 POLB (0.42) TYMSPOLBDUT
SCHEMBL23982125 0.80 ADRB1 (0.47) ADKADRB1DNMT1TK1LMNA
SCHEMBL22334012 0.80 ADRB1 (0.47) ADKADRB1DNMT1TK1LMNA
SCHEMBL22333925 0.80 ADRB1 (0.47) ADKADRB1DNMT1TK1LMNA
SCHEMBL22333924 0.80 ADRB1 (0.47) ADKADRB1DNMT1TK1LMNA
SCHEMBL24687180 0.80 ADRB1 (0.47) ADKADRB1DNMT1TK1LMNA
SCHEMBL11915452 0.78 ADRB1 (0.49) ADRB1DNMT1TK1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981078-B2 Selective inhibitors of translesion DNA replication CASE WESTERN RESERVE UNIVERSITY (US) 2015-03-17 — — US disclosed
US-20130004945-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION BERDIS ANTHONY J (US) 2013-01-03 — — US disclosed
US-8114847-B2 Selective inhibitors of translesion DNA replication CASE WESTERN RESERVE UNIVERSITY (US) 2012-02-14 — — US disclosed
US-20090048202-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION CASE WESTERN RESERVE UNIVERSITY 2009-02-19 — — US 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-20090048202-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION REV1, PCNA, DNA2 ADRB1 4674/4885TYMS 26/4885ADK 550/4885

“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.

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