Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10980202 | 0.89 | KDM4E (0.32) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL9749830 | 0.82 | ADRB2 (0.52) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL9749844 | 0.80 | ADRB2 (0.47) | CYP1A2ADRB2ADRB1CYP2D6ADRB3 | |
| SCHEMBL10992536 | 0.80 | CYP1A2 (0.42) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL9749863 | 0.79 | ADRB2 (0.33) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL10982702 | 0.76 | ADRB2 (0.44) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL10992310 | 0.75 | ADRB2 (0.36) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL9749911 | 0.75 | ABCB1 (0.39) | ADRB2ADRB1ADRB3GAATSHR | |
| SCHEMBL10991811 | 0.74 | ADRB1 (0.43) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL9750424 | 0.73 | ADRB2 (0.49) | CYP1A2ADRB2ADRB1CYP3A4HTR1A |
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 |