Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.59 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | HTR1A | P08908 | 1/20 | 0.59 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.59 |
| ▸ | DRD1 | P21728 | 1/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
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 | 1.00 | CYP2D6 (0.59) | CYP2D6CYP1A2ADRB2ADRB1CYP3A4 | |
| Hydrochloric Acid SCHEMBL11407352 | 0.99 | CYP2D6 (0.58) | CYP2D6CYP1A2ADRB2ADRB1CYP3A4 | |
| Phosphoric Acid SCHEMBL11406324 | 0.93 | CYP2D6 (0.54) | CYP2D6CYP1A2ADRB2ADRB1CYP3A4 | |
| SCHEMBL11753852 | 0.86 | CYP2D6 (0.57) | CYP2D6CYP1A2ADRB2ADRB1CYP3A4 | |
| SCHEMBL11753865 | 0.86 | CYP2D6 (0.57) | CYP2D6CYP1A2ADRB2ADRB1CYP3A4 | |
| SCHEMBL11403829 | 0.85 | CYP2D6 (0.59) | CYP2D6CYP1A2ADRB2ADRB1CYP3A4 | |
| SCHEMBL11412068 | 0.85 | CYP2D6 (0.59) | CYP2D6CYP1A2ADRB2ADRB1CYP3A4 | |
| SCHEMBL1587431 | 0.84 | CYP2D6 (0.58) | CYP2D6CYP1A2ADRB2ADRB1CYP3A4 | |
| SCHEMBL5908033 | 0.84 | CYP2D6 (0.58) | CYP2D6CYP1A2ADRB2ADRB1CYP3A4 | |
| Hydrochloric Acid SCHEMBL11406447 | 0.84 | CYP2D6 (0.58) | CYP2D6CYP1A2ADRB2ADRB1CYP3A4 |
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.
| 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 |
| US-4031125-A | 3-Sulfonate ester of 2,3-dihydroxypropylamine | MERCK & CO., INC. (US) | 1977-06-21 | — | — | US | disclosed |
| US-3962338-A | Novel methods and compounds employed therein | MERCK & CO., INC. (US) | 1976-06-08 | — | — | US | disclosed |