Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CASR | P41180 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10997074 | 0.91 | CASR (0.41) | ADRB2ADRB1CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL9749804 | 0.90 | ADRB2 (0.50) | ADRB2ADRB1CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL10984749 | 0.87 | ADRB2 (0.43) | ADRB2ADRB1CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL11756802 | 0.83 | CYP2D6 (0.46) | ADRB2ADRB1CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL11756794 | 0.83 | CYP2D6 (0.46) | ADRB2ADRB1CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL9749867 | 0.82 | ADRB2 (0.56) | ADRB2ADRB1CYP2D6CYP1A2HTR1A | |
| SCHEMBL9749811 | 0.80 | ADRB2 (0.47) | ADRB2ADRB1CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL10979024 | 0.80 | ADRB2 (0.50) | ADRB2ADRB1CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL9749902 | 0.80 | SMN1; SMN2 (0.52) | ADRB2ADRB1CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL10992536 | 0.80 | CYP1A2 (0.42) | ADRB2ADRB1CYP2D6CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0131006-B1 | ESTERS OF 3-(3-SUBSTITUTED-AMINO-2-HYDROXYPROPOXY)-4-SUBSTITUTED-1,2,5-THIADIAZOLE DERIVATIVES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1992-06-10 | — | — | EP | disclosed |
| US-4508725-A | BETA-ADRENERGIC BLOCKING AGENTS; GLAUCOMA TREATMENT | AMERICAN HOSPITAL SUPPLY CORPORATION (US) | 1985-04-02 | — | — | US | disclosed |