Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.48 |
| ▸ | RAF1 | P04049 | 1/20 | 0.47 |
| ▸ | BRAF | P15056 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 3/20 | 0.42 |
| ▸ | DRD4 | P21917 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 4/20 | 0.41 |
| ▸ | HTR1D | P28221 | 3/20 | 0.41 |
| ▸ | HTR1B | P28222 | 3/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9437826 | 0.97 | PARP1 (0.49) | PARP1RAF1BRAFBCHEACHE | |
| SCHEMBL9437878 | 0.94 | PARP1 (0.51) | PARP1RAF1BRAFMAOBDRD2 | |
| SCHEMBL9437886 | 0.81 | PARP1 (0.44) | PARP1DRD2DRD4DRD3HTR1A | |
| SCHEMBL9437875 | 0.81 | HTR1A (0.47) | BCHEACHEMAOBHTR1A | |
| SCHEMBL9437866 | 0.80 | PARP1 (0.53) | PARP1ACHEDRD2DRD4DRD3 | |
| SCHEMBL9437740 | 0.79 | PARP1 (0.60) | PARP1DRD2DRD4DRD3HTR1A | |
| SCHEMBL9437847 | 0.79 | PARP1 (0.54) | PARP1RAF1BRAFDRD2DRD4 | |
| SCHEMBL9437713 | 0.78 | HTR1A (0.45) | BCHEACHEMAOBDRD3HTR1A | |
| SCHEMBL9437720 | 0.77 | HTR1A (0.51) | BCHEACHEMAOBHTR1A | |
| SCHEMBL9437860 | 0.77 | PARP1 (0.56) | PARP1RAF1BRAFDRD2DRD4 |
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-5296477-A | Antidepressants | ADIR ET COMPAGNIE (FR) | 1994-03-22 | — | — | US | disclosed |
| US-5268381-A | Antidepressant or anxiolytic compound | ADIR ET COMPAGNIE (FR) | 1993-12-07 | — | — | US | disclosed |
| US-5196434-A | Antidepressants, anxiolytic agents | ADIR ET COMPAGNIE (FR) | 1993-03-23 | — | — | US | disclosed |