Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | BRS3 | P32247 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8075662 | 0.92 | CYP1A2 (0.49) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8070729 | 0.92 | CYP1A2 (0.49) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8069116 | 0.85 | NPC1 (0.44) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8070752 | 0.85 | OPRL1 (0.62) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8069159 | 0.84 | BRS3 (0.60) | NPC1RAB9ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2385445 | 0.84 | CYP2D6 (0.53) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL31362016 | 0.83 | CYP2C9 (0.49) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL31361975 | 0.82 | CYP2C9 (0.48) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL31361966 | 0.81 | CYP2C9 (0.47) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10713337 | 0.81 | BRS3 (0.57) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 |
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 4 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 |
| 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 |