Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9525968 | 0.89 | FFAR1 (0.39) | — | |
| SCHEMBL9526402 | 0.85 | ADRB2 (0.39) | ADRB2ADRB1ADRB3 | |
| SCHEMBL9526015 | 0.84 | AGTR1 (0.38) | — | |
| SCHEMBL9525315 | 0.83 | — | — | |
| SCHEMBL9527046 | 0.80 | AGTR1 (0.39) | — | |
| SCHEMBL9526987 | 0.79 | AGTR2 (0.41) | — | |
| SCHEMBL9525736 | 0.78 | AGTR1 (0.36) | — | |
| SCHEMBL9525516 | 0.76 | — | — | |
| SCHEMBL9526534 | 0.75 | — | — | |
| SCHEMBL9525771 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991015479-A1 | SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES | MERCK & CO., INC. (US) | 1991-10-17 | — | — | WO | claimed |
| WO-1991015479-A1 | SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES | MERCK & CO., INC. (US) | 1991-10-17 | — | — | WO | disclosed |