Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | NISCH | Q9Y2I1 | 3/20 | 0.50 |
| ▸ | MTOR | P42345 | 1/20 | 0.49 |
| ▸ | ADK | P55263 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | SMPD3 | Q9NY59 | 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 | |
|---|---|---|---|---|
| SCHEMBL1288638 | 0.87 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| Iodide SCHEMBL27800424 | 0.85 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL6002994 | 0.82 | NISCH (0.47) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL6003473 | 0.80 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL722191 | 0.76 | NISCH (0.78) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL9183355 | 0.75 | NISCH (0.50) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL862114 | 0.74 | NISCH (0.75) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL771769 | 0.74 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL6002633 | 0.74 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL772274 | 0.74 | NISCH (0.58) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 |
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-1678185-A1 | 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005042542-A1 | 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2005-05-12 | — | — | WO | disclosed |