Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 3/20 | 0.38 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.37 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.36 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.36 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8075591 | 0.84 | MAPT (0.48) | ADORA2AADORA1CYP1A2 | |
| SCHEMBL2935652 | 0.78 | CHRNB4 (0.43) | ADORA2AADORA1ROCK2ROCK1CDC42BPB | |
| SCHEMBL8075647 | 0.76 | ADORA2A (0.39) | ADORA2AADORA1ROCK2ROCK1CDC42BPB | |
| SCHEMBL8060040 | 0.74 | OPRL1 (0.39) | ADORA2AADORA1ROCK2ROCK1CDC42BPB | |
| SCHEMBL13538960 | 0.73 | ROCK2 (0.40) | ADORA2AADORA1ROCK2ROCK1CDC42BPB | |
| SCHEMBL9899670 | 0.72 | MAPT (0.54) | ADORA2AADORA1ROCK2ROCK1CDC42BPB | |
| SCHEMBL9899672 | 0.72 | MAPT (0.54) | ADORA2AADORA1ROCK2ROCK1CDC42BPB | |
| SCHEMBL13638851 | 0.71 | ADORA2A (0.45) | ADORA2AADORA1ROCK2ROCK1CDC42BPB | |
| SCHEMBL2447116 | 0.71 | FPR1 (0.47) | ADORA2AADORA1ROCK2ROCK1CDC42BPB | |
| SCHEMBL2448887 | 0.71 | FPR1 (0.47) | ADORA2AADORA1ROCK2ROCK1CDC42BPB |
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-6051570-A | ANTIULCER AGENTS | DR. REDDY'S RESEARCH FOUNDATION (IN) | 2000-04-18 | — | — | US | disclosed |
| EP-0983263-A1 | NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S RESEARCH FOUNDATION (IN) | 2000-03-08 | — | — | EP | disclosed |
| WO-1998054172-A1 | NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S RESEARCH FOUNDATION (IN) | 1998-12-03 | — | — | WO | disclosed |