Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 13/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 3/20 | 0.39 |
| ▸ | NOS3 | P29474 | 2/20 | 0.39 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8059824 | 0.83 | OPRL1 (0.44) | OPRL1ROCK2ROCK1CDC42BPBCYP1A2 | |
| SCHEMBL8060040 | 0.75 | OPRL1 (0.39) | OPRL1ROCK2ROCK1CDC42BPBCYP1A2 | |
| SCHEMBL8071108 | 0.69 | MAP4K1 (0.39) | ROCK2ROCK1CDC42BPBMAP4K1 | |
| SCHEMBL8071180 | 0.67 | NOS2 (0.58) | OPRL1NOS2NOS3NOS1CYP1A2 | |
| SCHEMBL8073907 | 0.66 | OPRL1 (0.37) | OPRL1 | |
| SCHEMBL8072215 | 0.65 | OPRL1 (0.54) | OPRL1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8071079 | 0.65 | OPRL1 (0.58) | OPRL1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL8060096 | 0.65 | OPRL1 (0.53) | OPRL1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8075357 | 0.65 | OPRL1 (0.53) | OPRL1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8070520 | 0.64 | OPRL1 (0.50) | OPRL1CYP1A2CYP2E1CYP3A4CYP2C8 |
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-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 |