Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 18/20 | 0.74 |
| ▸ | DHODH | Q02127 | 4/20 | 0.74 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.67 |
| ▸ | PKN1 | Q16512 | 2/20 | 0.65 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.65 |
| ▸ | PLK4 | O00444 | 1/20 | 0.59 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.59 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.59 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.59 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.59 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.59 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.59 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.59 |
| ▸ | PIM1 | P11309 | 1/20 | 0.59 |
| ▸ | PHKG2 | P15735 | 1/20 | 0.59 |
| ▸ | PRKACA | P17612 | 1/20 | 0.59 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.59 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.59 |
| ▸ | CLK2 | P49760 | 1/20 | 0.59 |
| ▸ | GSK3A | P49840 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL28840597 | 1.00 | PARP1 (0.74) | PARP1DHODHPARP2PKN1PKN2 | |
| SCHEMBL28840989 | 0.91 | PARP1 (0.82) | PARP1DHODHPARP2PKN1PKN2 | |
| SCHEMBL29790489 | 0.90 | PARP1 (0.84) | PARP1DHODHPARP2CHEK2 | |
| SCHEMBL28840580 | 0.90 | PARP1 (0.84) | PARP1DHODHPARP2CHEK2 | |
| SCHEMBL28840577 | 0.86 | PARP1 (0.80) | PARP1DHODHPARP2 | |
| SCHEMBL29790473 | 0.86 | PARP1 (0.80) | PARP1DHODHPARP2 | |
| SCHEMBL29790495 | 0.85 | PARP1 (0.76) | PARP1DHODHPARP2 | |
| SCHEMBL28840603 | 0.85 | PARP1 (0.76) | PARP1DHODHPARP2 | |
| SCHEMBL31413270 | 0.85 | PARP1 (0.82) | PARP1DHODHPARP2 | |
| SCHEMBL31413276 | 0.84 | PARP1 (0.78) | PARP1DHODHPARP2PKN1PKN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114907269-A | Benzimidazole-4-carboxamide derivative with piperazine as connecting group | 南华大学 | 2022-08-16 | — | — | CN | disclosed |