Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.64 |
| ▸ | DRD2 | P14416 | 1/20 | 0.59 |
| ▸ | HTR7 | P34969 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8010714 | 0.92 | SIGMAR1 (0.72) | SIGMAR1DRD2HTR7MAPK1PARP1 | |
| SCHEMBL11833145 | 0.89 | SIGMAR1 (0.66) | SIGMAR1DRD2MAPK1MEN1KMT2A | |
| SCHEMBL11830521 | 0.85 | SIGMAR1 (0.64) | SIGMAR1DRD2HTR7MAPK1PARP1 | |
| SCHEMBL8575395 | 0.84 | SIGMAR1 (0.62) | SIGMAR1DRD2HTR7MAPK1PARP1 | |
| SCHEMBL7978448 | 0.83 | SIGMAR1 (0.61) | SIGMAR1DRD2MAPK1MEN1KMT2A | |
| SCHEMBL918408 | 0.81 | SIGMAR1 (0.60) | SIGMAR1DRD2HTR7MAPK1PARP1 | |
| SCHEMBL6367176 | 0.81 | DRD2 (0.61) | SIGMAR1DRD2HTR7MAPK1PARP1 | |
| SCHEMBL19944415 | 0.80 | SIGMAR1 (0.62) | SIGMAR1DRD2HTR7MAPK1MEN1 | |
| SCHEMBL9726233 | 0.80 | SIGMAR1 (0.61) | SIGMAR1HTR1A | |
| SCHEMBL11835654 | 0.80 | SIGMAR1 (0.62) | SIGMAR1DRD2MAPK1MEN1KMT2A |
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 |