Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXTR | P30559 | 1/20 | 0.43 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.43 |
| ▸ | MTTP | P55157 | 2/20 | 0.39 |
| ▸ | APOB | P04114 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 6/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.38 |
| ▸ | SMO | Q99835 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 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 | |
|---|---|---|---|---|
| SCHEMBL5134903 | 0.84 | MTTP (0.50) | MTTPAPOBHCRTR1HCRTR2 | |
| SCHEMBL5137351 | 0.74 | DRD2 (0.40) | CYP2C9CYP2C19DRD2 | |
| SCHEMBL5137387 | 0.73 | MEN1 (0.57) | — | |
| SCHEMBL5136194 | 0.73 | AGER (0.43) | HCRTR1HCRTR2 | |
| SCHEMBL29978735 | 0.72 | TDP1 (0.61) | TRPV1CYP3A4CYP2C9 | |
| SCHEMBL4197626 | 0.72 | TDP1 (0.61) | TRPV1CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL6201867 | 0.71 | KDM4E (0.59) | TRPV1CYP3A4CYP2C9 | |
| SCHEMBL5359589 | 0.71 | MEN1 (0.51) | — | |
| SCHEMBL5136090 | 0.70 | POLB (0.43) | HCRTR1HCRTR2DRD2 | |
| SCHEMBL5138006 | 0.69 | ALDH1A1 (0.50) | HCRTR1HCRTR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1490044-A4 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORP (US) | 2008-04-16 | — | — | EP | disclosed |
| EP-1490044-A1 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORPORATION (US) | 2004-12-29 | — | — | EP | disclosed |
| WO-2003084524-A1 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORPORATION (US) | 2003-10-16 | — | — | WO | disclosed |