Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.49 |
| ▸ | DRD2 | P14416 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | THPO | P40225 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 3/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19944499 | 0.90 | SIGMAR1 (0.47) | SIGMAR1DRD2HTR7PARP1PPARG | |
| SCHEMBL19944416 | 0.86 | DRD2 (0.61) | SIGMAR1DRD2CYP2D6THPOHTR6 | |
| SCHEMBL19944866 | 0.86 | PARP1 (0.47) | SIGMAR1DRD2CYP2D6THPOHTR6 | |
| SCHEMBL7295751 | 0.75 | HTR1A (0.57) | SIGMAR1DRD2HTR1A | |
| SCHEMBL19944409 | 0.75 | DRD2 (0.49) | SIGMAR1DRD2CYP2D6THPOLMNA | |
| SCHEMBL8010714 | 0.73 | SIGMAR1 (0.72) | SIGMAR1DRD2HTR7PARP1 | |
| SCHEMBL28057913 | 0.73 | SIGMAR1 (0.56) | SIGMAR1DRD2HTR7PARP1PPARG | |
| SCHEMBL8909829 | 0.72 | CYP2D6 (0.48) | SIGMAR1CYP2D6THPOLMNAPMP22 | |
| SCHEMBL7861690 | 0.71 | CYP2D6 (0.71) | SIGMAR1CYP2D6THPOLMNAPMP22 | |
| SCHEMBL6367176 | 0.70 | DRD2 (0.61) | SIGMAR1DRD2CYP2D6THPOLMNA |
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-2018044136-A1 | NOVEL COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH POLY(ADP-RIBOSE) POLYMERASE-1 (PARP-1) | 충남대학교 산학협력단 | 2018-03-08 | — | — | WO | disclosed |