Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | ACE | P12821 | 3/20 | 0.35 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | UCHL1 | P09936 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | KLK7 | P49862 | 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 | |
|---|---|---|---|---|
| SCHEMBL7323145 | 0.94 | CASP3 (0.36) | CASP3ACEPARP1HSD17B10ROCK2 | |
| SCHEMBL7326405 | 0.86 | POLB (0.36) | CASP3ACEKMT2A | |
| SCHEMBL12443735 | 0.83 | CASP3 (0.39) | CASP3ACEPARP1HSD17B10ROCK2 | |
| SCHEMBL11113427 | 0.82 | CASP3 (0.40) | CASP3ACEPARP1HSD17B10ROCK2 | |
| SCHEMBL7327045 | 0.80 | ACE (0.49) | ACEALDH1A1 | |
| SCHEMBL10671600 | 0.79 | ACE (0.41) | CASP3ACEHSD17B10ROCK2UCHL1 | |
| SCHEMBL644711 | 0.78 | ACE (0.40) | CASP3ACEPARP1HSD17B10ROCK2 | |
| SCHEMBL10201660 | 0.78 | CASP3 (0.39) | CASP3ACEPARP1HSD17B10ROCK2 | |
| SCHEMBL949749 | 0.78 | ACE (0.40) | CASP3ACEPARP1HSD17B10ROCK2 | |
| SCHEMBL10668095 | 0.75 | ACE (0.38) | CASP3ACEPARP1HSD17B10ROCK2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4785093-A | Bicyclic compounds | HOFFMANN-LA ROCHE INC. (US) | 1988-11-15 | — | — | US | claimed |
| US-4826980-A | HYPOTENSIVE AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1989-05-02 | — | — | US | disclosed |
| US-4785093-A | Bicyclic compounds | HOFFMANN-LA ROCHE INC. (US) | 1988-11-15 | — | — | US | disclosed |
| US-4762924-A | HYPOTENSIVE AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1988-08-09 | — | — | US | disclosed |
| US-4743687-A | HYPOTENSIVE AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1988-05-10 | — | — | US | disclosed |
| US-4692438-A | Pyridazo-diazepines, diazocines, and -triazepines having anti-hypertensive activity | HOFFMANN-LA ROCHE INC. (US) | 1987-09-08 | — | — | US | disclosed |
| EP-0172552-A2 | Bicyclic carboxylic acids and their alkyl esters, process and intermediates for their preparation as well as medicaments containing them | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1986-02-26 | — | — | EP | disclosed |