Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 17/20 | 1.00 |
| ▸ | DHODH | Q02127 | 1/20 | 0.71 |
| ▸ | PKN1 | Q16512 | 3/20 | 0.67 |
| ▸ | PKN2 | Q16513 | 3/20 | 0.67 |
| ▸ | PLK4 | O00444 | 1/20 | 0.67 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.67 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.67 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.67 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.67 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.67 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.67 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.67 |
| ▸ | PIM1 | P11309 | 1/20 | 0.67 |
| ▸ | PHKG2 | P15735 | 1/20 | 0.67 |
| ▸ | PRKACA | P17612 | 1/20 | 0.67 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.67 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.67 |
| ▸ | CLK2 | P49760 | 1/20 | 0.67 |
| ▸ | GSK3A | P49840 | 1/20 | 0.67 |
| ▸ | PRKX | P51817 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL7316597 | 0.86 | PARP1 (1.00) | PARP1DHODHPKN1PKN2PLK4 | |
| SCHEMBL29412034 | 0.86 | PARP1 (1.00) | PARP1DHODHPKN1PKN2PLK4 | |
| SCHEMBL458836 | 0.86 | PARP1 (1.00) | PARP1DHODHPKN1PKN2PLK4 | |
| SCHEMBL29412005 | 0.85 | PARP1 (0.74) | PARP1DHODHPKN1PKN2PLK4 | |
| SCHEMBL29412056 | 0.85 | PARP1 (1.00) | PARP1DHODHPKN1PKN2PLK4 | |
| SCHEMBL505358 | 0.83 | PARP1 (1.00) | PARP1DHODHPKN1PKN2PLK4 | |
| SCHEMBL7135042 | 0.83 | PARP1 (0.82) | PARP1DHODHPKN1PKN2PLK4 | |
| SCHEMBL4321727 | 0.82 | PARP1 (1.00) | PARP1DHODHPKN1PKN2DYRK3 | |
| SCHEMBL7317874 | 0.82 | PARP1 (1.00) | PARP1DHODHPKN1PKN2PLK4 | |
| SCHEMBL7136544 | 0.81 | PARP1 (0.78) | PARP1DHODHPKN1PKN2PLK4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113637017-B | Compound containing dihydropterin structure, its preparation method and application | 中国药科大学 | 2024-03-26 | — | — | CN | disclosed |
| WO-2023016134-A1 | COMPOUND CONTAINING TETRAHYDROPTERIN STRUCTURE, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 中国药科大学 | 2023-02-16 | — | — | WO | disclosed |
| US-7781596-B1 | Substituted 2-phenylbenzimidazoles, the production thereof and their use | ABBOTT LABORATORIES (US) | 2010-08-24 | — | — | US | disclosed |