Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 5/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 5/20 | 0.39 |
| ▸ | EDNRB | P24530 | 1/20 | 0.37 |
| ▸ | EDNRA | P25101 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9526834 | 0.89 | FFAR1 (0.39) | EDNRBEDNRA | |
| SCHEMBL9753993 | 0.85 | ADRB2 (0.34) | ADRB2ADRB1ADRB3 | |
| SCHEMBL9527525 | 0.84 | AGTR1 (0.38) | — | |
| SCHEMBL9526466 | 0.83 | — | — | |
| SCHEMBL9525569 | 0.82 | FFAR1 (0.38) | EDNRBEDNRA | |
| SCHEMBL9526413 | 0.80 | AGTR1 (0.39) | — | |
| SCHEMBL9527727 | 0.79 | AGTR2 (0.41) | — | |
| SCHEMBL9526455 | 0.78 | AGTR1 (0.36) | — | |
| SCHEMBL9527188 | 0.77 | — | — | |
| SCHEMBL9753971 | 0.75 | PPARG (0.37) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0523141-A4 | SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES | — | 1993-04-21 | — | — | EP | claimed |
| EP-0523141-A1 | SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES | MERCK & CO. INC. (US) | 1993-01-20 | — | — | EP | claimed |
| WO-1991015479-A1 | SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES | MERCK & CO., INC. (US) | 1991-10-17 | — | — | WO | claimed |
| EP-0523141-A4 | SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES | — | 1993-04-21 | — | — | EP | disclosed |
| EP-0523141-A1 | SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES | MERCK & CO. INC. (US) | 1993-01-20 | — | — | EP | disclosed |
| WO-1991015479-A1 | SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES | MERCK & CO., INC. (US) | 1991-10-17 | — | — | WO | disclosed |