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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 2/20 | 0.54 |
| ▸ | ADRB1 known ✓ | P08588 | 2/20 | 0.54 |
| ▸ | ADRB3 known ✓ | P13945 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | DRD1 | P21728 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11758160 | 0.93 | CYP2D6 (0.59) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL11403374 | 0.93 | CYP2D6 (0.59) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL11406330 | 0.82 | CYP1A2 (0.39) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL11407626 | 0.81 | ADRB2 (0.53) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL11753852 | 0.80 | CYP2D6 (0.57) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL11753865 | 0.80 | CYP2D6 (0.57) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| Hydrochloric Acid SCHEMBL11412888 | 0.80 | CYP2D6 (0.52) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL11412068 | 0.80 | CYP2D6 (0.59) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL11403829 | 0.80 | CYP2D6 (0.59) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL1587431 | 0.79 | CYP2D6 (0.58) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4238485-A | 1,2,5-THIADIAZOLE DERIVATIVE, THIAZIDE DIURETIC, HYPOTENSIVE AGENTS | MERCK & CO., INC. (US) | 1980-12-09 | — | — | US | disclosed |
| US-4178374-A | SUBSTITUTED 1,2,5-THIADIAZOLE B-ADRENERGIC BLOCKING AGENT, PYRAZINE AND/OR THIAZIDE DIURETIC, TREATMENT OF HYPERTENSION | MERCK & CO., INC. (US) | 1979-12-11 | — | — | US | disclosed |