Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.42 |
| ▸ | PDE9A | O76083 | 5/20 | 0.41 |
| ▸ | PDE5A | O76074 | 4/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | PLK4 | O00444 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.38 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | PAK4 | O96013 | 1/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
| ▸ | PRKCG | P05129 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | CSF1R | P07333 | 1/20 | 0.38 |
| ▸ | RET | P07949 | 1/20 | 0.38 |
| ▸ | IGF1R | P08069 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28895087 | 0.77 | PARP1 (0.46) | PARP1PDE9APDE5ATP53AURKA | |
| SCHEMBL3337877 | 0.74 | PARP1 (0.51) | PARP1PDE9APDE5ATP53MAP4K4 | |
| SCHEMBL29965987 | 0.74 | PDE5A (0.45) | PARP1PDE9APDE5ATP53PLA2G10 | |
| SCHEMBL29966010 | 0.73 | PARP1 (0.66) | PARP1TP53CDC7PLK4AURKA | |
| SCHEMBL30273139 | 0.72 | PARP1 (0.41) | PARP1PDE9ACDC7PLK4AURKA | |
| SCHEMBL28895268 | 0.72 | ALDH1A1 (0.55) | PARP1PLK4DYRK3PRKD3MAP4K4 | |
| SCHEMBL29965925 | 0.72 | ALDH1A1 (0.55) | PARP1PLK4DYRK3PRKD3MAP4K4 | |
| SCHEMBL16174315 | 0.69 | LMNA (0.51) | PARP1TP53DAO | |
| SCHEMBL31195706 | 0.69 | PARP1 (0.33) | PARP1PDE9APDE5ACDC7PLK4 | |
| SCHEMBL29965714 | 0.68 | PARP1 (0.51) | PARP1 |
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-115368362-A | Quinoxalinone derivatives as BTK inhibitors and application thereof | 华东理工大学 | 2022-11-22 | — | — | CN | disclosed |