Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NISCH | Q9Y2I1 | 3/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | ADK | P55263 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | CBFB | Q13951 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1288383 | 0.84 | NPY5R (0.52) | NPC1RAB9ANISCHMTORADK | |
| Iodide SCHEMBL27779883 | 0.83 | NPY5R (0.51) | NPC1RAB9ANISCHMTORADK | |
| SCHEMBL1288638 | 0.83 | CYP1A2 (0.55) | NPC1RAB9ANISCHMTORADK | |
| Iodide SCHEMBL27800424 | 0.81 | CYP1A2 (0.54) | NPC1RAB9ANISCHMTORADK | |
| SCHEMBL6630552 | 0.77 | SMPD3 (0.62) | SMPD3NISCHMTORADKALDH1A1 | |
| SCHEMBL28494454 | 0.74 | NISCH (0.62) | SMPD3NISCHMTORADKALDH1A1 | |
| SCHEMBL6003163 | 0.73 | ABL1 (0.53) | NPC1RAB9AABL1SCN9AMRGPRX4 | |
| SCHEMBL1719475 | 0.73 | NISCH (0.47) | SMPD3NISCHMTORADKALDH1A1 | |
| SCHEMBL6002878 | 0.72 | MRGPRX4 (0.53) | SMPD3NISCHMTORADKABL1 | |
| SCHEMBL6002994 | 0.72 | NISCH (0.47) | SMPD3NPC1RAB9ANISCHMTOR |
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 |