Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7352053 | 0.99 | PARP1 (0.46) | PARP1SIGMAR1HTR1A | |
| SCHEMBL7357886 | 0.85 | SIGMAR1 (0.47) | PARP1SIGMAR1HTR1A | |
| SCHEMBL7353890 | 0.83 | SIGMAR1 (0.44) | PARP1SIGMAR1HTR1A | |
| Dimethylamine SCHEMBL7353096 | 0.82 | PARP1 (0.51) | PARP1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL7357103 | 0.82 | HTR1A (0.47) | PARP1SIGMAR1HTR1A | |
| Hydrochloric Acid SCHEMBL7359451 | 0.82 | SIGMAR1 (0.44) | PARP1SIGMAR1HTR1A | |
| Dimethylamine SCHEMBL7352059 | 0.81 | PARP1 (0.50) | PARP1SIGMAR1 | |
| SCHEMBL5846101 | 0.79 | DRD2 (0.56) | PARP1SIGMAR1 | |
| SCHEMBL7359345 | 0.78 | HTR1A (0.47) | PARP1SIGMAR1HTR1A | |
| Hydrochloric Acid SCHEMBL5846883 | 0.78 | DRD2 (0.55) | PARP1SIGMAR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995003298-A1 | BENZIMIDAZOLE DERIVATIVES USEFUL AS DOPAMINE RECEPTOR ANTAGONIST, 5-HT RECEPTOR AGONIST OR α1 RECEPTOR ANTAGONIST | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1995-02-02 | — | — | WO | disclosed |