Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 9/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL5137374 | 0.67 | CHRNB2 (0.42) | CYP2D6ALDH1A1 | |
| SCHEMBL6570842 | 0.65 | CYP2D6 (0.47) | OPRK1CYP2D6CHRM3 | |
| SCHEMBL7906341 | 0.64 | GAA (0.58) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9511951 | 0.64 | OPRK1 (0.65) | OPRK1CYP2D6OPRM1OPRD1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9511943 | 0.64 | OPRK1 (0.65) | OPRK1CYP2D6OPRM1OPRD1ALDH1A1 | |
| SCHEMBL16191094 | 0.63 | RIPK1 (0.50) | OPRK1CYP3A4CYP2C19 | |
| SCHEMBL1521003 | 0.63 | KDM4E (0.49) | CYP2D6CHRM3 | |
| SCHEMBL5136157 | 0.61 | TSHR (0.59) | ALDH1A1TSHRCYP2C19 | |
| SCHEMBL4377926 | 0.61 | CHRNB2 (0.43) | OPRK1CYP2D6OPRM1OPRD1ALDH1A1 | |
| SCHEMBL5135650 | 0.61 | ALDH1A1 (0.39) | ALDH1A1TSHRCYP2C19 |
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 |