Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 6/20 | 0.39 |
| ▸ | DRD4 | P21917 | 3/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 5/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.39 |
| ▸ | HTR7 | P34969 | 4/20 | 0.39 |
| ▸ | HTR1A | P08908 | 3/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ABCC1 | P33527 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9704402 | 0.99 | HTR2A (0.40) | AURKAPARP1DRD2DRD4DRD3 | |
| SCHEMBL9689032 | 0.94 | DRD2 (0.44) | PARP1DRD2DRD4DRD3PPARG | |
| SCHEMBL9689504 | 0.93 | HTR1A (0.45) | PARP1DRD2DRD4DRD3HTR2A | |
| Hydrochloric Acid SCHEMBL9688128 | 0.92 | HTR1A (0.44) | PARP1DRD2DRD4DRD3HTR2A | |
| SCHEMBL9037849 | 0.90 | PPARG (0.48) | PARP1DRD2DRD4DRD3PPARG | |
| Hydrochloric Acid SCHEMBL22150567 | 0.89 | PPARG (0.48) | PARP1DRD2DRD4DRD3PPARG | |
| SCHEMBL9689955 | 0.88 | PARP1 (0.43) | AURKAPARP1DRD2DRD4PPARG | |
| SCHEMBL9689578 | 0.82 | PARP1 (0.42) | PARP1DRD2DRD4DRD3HTR2A | |
| SCHEMBL9037365 | 0.82 | PPARG (0.47) | DRD2DRD4DRD3PPARGHTR1A | |
| SCHEMBL9689495 | 0.81 | PARP1 (0.42) | PARP1DRD2DRD4DRD3HTR2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0358676-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1990-03-21 | — | — | EP | claimed |
| EP-0293078-A1 | Pharmaceutically active amines | THE UPJOHN COMPANY (US) | 1988-11-30 | — | — | EP | claimed |
| WO-1988008424-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1988-11-03 | — | — | WO | claimed |
| US-5120843-A | Nervous system disorders | UPJOHN (US) | 1992-06-09 | — | — | US | disclosed |
| EP-0487510-A1 | Pharmaceutically active amines | THE UPJOHN COMPANY (US) | 1992-05-27 | — | — | EP | disclosed |
| EP-0358676-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1990-03-21 | — | — | EP | disclosed |
| EP-0293078-A1 | Pharmaceutically active amines | THE UPJOHN COMPANY (US) | 1988-11-30 | — | — | EP | disclosed |
| WO-1988008424-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1988-11-03 | — | — | WO | disclosed |