Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | ACE | P12821 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | KLK7 | P49862 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12443735 | 0.87 | CASP3 (0.39) | CASP3ACEHSD17B10ROCK2NPC1 | |
| SCHEMBL7326668 | 0.82 | CASP3 (0.36) | CASP3ACEHSD17B10ROCK2NPC1 | |
| SCHEMBL10565831 | 0.81 | ACE (0.44) | CASP3ACEHSD17B10ROCK2NPC1 | |
| SCHEMBL7323145 | 0.81 | CASP3 (0.36) | CASP3ACEHSD17B10ROCK2NPC1 | |
| SCHEMBL10671600 | 0.80 | ACE (0.41) | CASP3ACEHSD17B10ROCK2NPC1 | |
| SCHEMBL644711 | 0.79 | ACE (0.40) | CASP3ACEHSD17B10ROCK2NPC1 | |
| SCHEMBL949749 | 0.79 | ACE (0.40) | CASP3ACEHSD17B10ROCK2NPC1 | |
| SCHEMBL10201660 | 0.79 | CASP3 (0.39) | CASP3ACEHSD17B10ROCK2NPC1 | |
| SCHEMBL11108799 | 0.79 | CASP3 (0.39) | CASP3ACEHSD17B10ROCK2NPC1 | |
| SCHEMBL10668095 | 0.76 | ACE (0.38) | CASP3ACEHSD17B10ROCK2NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4487929-A | HYPOTENSIVE AGENTS | HOFFMANN-LA ROCHE, INC. (US) | 1984-12-11 | — | — | US | disclosed |
| US-4399136-A | Pyrazolopyridazine antihypertensives | HOFFMANN-LA ROCHE INC. (US) | 1983-08-16 | — | — | US | disclosed |
| EP-0042100-A1 | Pyrazolopyridazine derivatives, intermediates and processes for their preparation, and medicaments containing them | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1981-12-23 | — | — | EP | disclosed |