Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 5/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 5/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11753904 | 0.88 | ADRB2 (0.48) | ADRB2ADRB1ADRB3CYP2D6PTGS1 | |
| SCHEMBL11753911 | 0.88 | ADRB2 (0.48) | ADRB2ADRB1ADRB3CYP2D6PTGS1 | |
| SCHEMBL11403374 | 0.78 | CYP2D6 (0.59) | ADRB2ADRB1ADRB3CYP2D6CYP1A2 | |
| SCHEMBL11758160 | 0.78 | CYP2D6 (0.59) | ADRB2ADRB1ADRB3CYP2D6CYP1A2 | |
| SCHEMBL9854476 | 0.77 | CYP1A2 (0.70) | POLBHPGDHTTADRB2ADRB1 | |
| Hydrochloric Acid SCHEMBL11407352 | 0.77 | CYP2D6 (0.58) | HTTADRB2ADRB1ADRB3CYP2D6 | |
| SCHEMBL11756551 | 0.76 | CYP2D6 (0.43) | ADRB2ADRB1ADRB3CYP2D6CYP1A2 | |
| SCHEMBL11756562 | 0.76 | CYP2D6 (0.43) | ADRB2ADRB1ADRB3CYP2D6CYP1A2 | |
| SCHEMBL11755467 | 0.74 | ADRB2 (0.46) | ADRB2ADRB1ADRB3CYP2D6PTGS1 | |
| SCHEMBL11755459 | 0.74 | ADRB2 (0.46) | ADRB2ADRB1ADRB3CYP2D6PTGS1 |
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 |