Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | RAB9A | P51151 | 2/20 | 0.62 |
| ▸ | OPRL1 | P41146 | 13/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | WDR5 | P61964 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ENGASE | Q8NFI3 | 2/20 | 0.40 |
| ▸ | ATP1A1 | P05023 | 2/20 | 0.40 |
| ▸ | ATP1B1 | P05026 | 2/20 | 0.40 |
| ▸ | ATP1A3 | P13637 | 2/20 | 0.40 |
| ▸ | ATP1B2 | P14415 | 2/20 | 0.40 |
| ▸ | ATP4A | P20648 | 2/20 | 0.40 |
| ▸ | ATP1A2 | P50993 | 2/20 | 0.40 |
| ▸ | ATP4B | P51164 | 2/20 | 0.40 |
| ▸ | ATP1B3 | P54709 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8069281 | 0.93 | NPC1 (0.61) | NPC1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8060096 | 0.90 | OPRL1 (0.53) | NPC1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8075357 | 0.90 | OPRL1 (0.53) | NPC1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8072215 | 0.89 | OPRL1 (0.54) | NPC1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8071079 | 0.88 | OPRL1 (0.58) | NPC1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8059958 | 0.84 | NPC1 (0.61) | NPC1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8070752 | 0.82 | OPRL1 (0.62) | NPC1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8074411 | 0.82 | NPC1 (0.40) | NPC1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8059832 | 0.81 | OPRL1 (0.51) | NPC1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29527281 | 0.80 | RAB9A (0.76) | NPC1CYP1A2CYP3A4CYP2D6CYP2C9 |
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 6 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 | claimed |
| 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 | claimed |
| 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 | claimed |
| 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 |