Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.53 |
| ▸ | KMO | O15229 | 2/20 | 0.52 |
| ▸ | GRIN2B | Q13224 | 6/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | ADK | P55263 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6002654 | 0.81 | SMPD3 (0.56) | MRGPRX4KMONISCHMTORADK | |
| SCHEMBL1719454 | 0.76 | NISCH (0.53) | MRGPRX4KMONISCHMTORADK | |
| SCHEMBL1288638 | 0.75 | CYP1A2 (0.55) | SCN9ANISCHMTORADKABL1 | |
| SCHEMBL1688469 | 0.75 | NISCH (0.49) | MRGPRX4KMONISCHMTORADK | |
| SCHEMBL14742214 | 0.74 | KMO (0.60) | KMOGRIN2BCYP2D6 | |
| SCHEMBL14741867 | 0.74 | KMO (0.51) | KMOGRIN2BGRM2 | |
| Iodide SCHEMBL27800424 | 0.74 | CYP1A2 (0.54) | SCN9ANISCHMTORADKABL1 | |
| SCHEMBL1288383 | 0.74 | NPY5R (0.52) | MRGPRX4SCN9ANISCHMTORADK | |
| SCHEMBL14742275 | 0.72 | KMO (0.68) | KMOGRIN2B | |
| SCHEMBL6003163 | 0.72 | ABL1 (0.53) | MRGPRX4SCN9AABL1 |
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 |