Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 2/20 | 0.35 |
| ▸ | EDNRB | P24530 | 1/20 | 0.34 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.34 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9754332 | 0.89 | AGTR2 (0.40) | EDNRAAGTR1AGTR2 | |
| SCHEMBL9530652 | 0.89 | METAP2 (0.36) | — | |
| SCHEMBL9526639 | 0.79 | — | — | |
| SCHEMBL9527525 | 0.78 | AGTR1 (0.38) | AGTR1AGTR2 | |
| SCHEMBL9527008 | 0.78 | AGTR2 (0.50) | AGTR1AGTR2 | |
| SCHEMBL9526466 | 0.75 | — | — | |
| SCHEMBL9526558 | 0.74 | METAP2 (0.34) | AGTR1AGTR2PTGS1PTGS2 | |
| SCHEMBL9526538 | 0.73 | AGTR2 (0.39) | AGTR1AGTR2 | |
| SCHEMBL9526413 | 0.72 | AGTR1 (0.39) | AGTR1AGTR2 | |
| SCHEMBL9527063 | 0.72 | AGTR2 (0.48) | EDNRAAGTR1AGTR2 |
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-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 |