Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL7165371 | 0.81 | HSP90AA1 (0.47) | HSP90AA1GLAGAAMAPTIDO1 | |
| SCHEMBL11627822 | 0.79 | HSP90AA1 (0.46) | HSP90AA1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL23753577 | 0.79 | MEN1 (0.57) | HSP90AA1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL27617217 | 0.76 | MAOA (0.43) | MAPTHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL9255310 | 0.74 | HSP90AA1 (0.48) | HSP90AA1SLC6A2SLC6A4SLC6A3CHRNA3 | |
| Fluoride SCHEMBL28396424 | 0.74 | MAOA (0.41) | MAPTHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7659746 | 0.73 | WDR5 (0.51) | GAAMAPTHTR3EHTR3BHTR3A | |
| SCHEMBL1587868 | 0.72 | KDM4E (0.47) | HSP90AA1SLC6A2SLC6A4SLC6A3CHRNA3 | |
| SCHEMBL9666256 | 0.71 | TDP1 (0.52) | GAAMAPTHTR3EHTR3BHTR3A | |
| SCHEMBL9485744 | 0.71 | KMO (0.46) | HSP90AA1MAPTSLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5674864-A | ANALGESICS; ENDOPEPTIDASE AND ENKEPHALINASE INHIBITORS; CARDIOTONIC, PSYCHOTROPIC AND HYPERTENSIVE AGENTS | ROUSSEL UCLAF (FR) | 1997-10-07 | — | — | US | disclosed |
| EP-0465369-B1 | N-substituted derivatives of alpha-mercapto alkylamines, process for their preparation and intermediates obtained, their use as medicaments and compositions containing them | ROUSSEL UCLAF (FR) | 1994-04-13 | — | — | EP | disclosed |
| US-5190974-A | Analgesics | ROUSSEL UCLAF (FR) | 1993-03-02 | — | — | US | disclosed |