Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.39 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 2/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | TYK2 | P29597 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 2/20 | 0.37 |
| ▸ | PLK1 | P53350 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30786178 | 1.00 | GAA (0.47) | GAACES2CES1ALDH1A1KDM4E | |
| SCHEMBL30786133 | 0.85 | GAA (0.47) | GAACES2CES1ALDH1A1KDM4E | |
| SCHEMBL7133296 | 0.81 | CES2 (0.61) | GAACES2CES1ALDH1A1KDM4E | |
| SCHEMBL30786060 | 0.81 | L3MBTL1 (0.42) | CES2CES1NPC1RAB9AJAK2 | |
| SCHEMBL20795008 | 0.79 | P2RX1 (0.54) | GAACES2CES1ALDH1A1KDM4E | |
| SCHEMBL11636186 | 0.79 | GAA (0.48) | GAACES2CES1ALDH1A1KDM4E | |
| SCHEMBL3490875 | 0.79 | CES2 (0.47) | CES2CES1ALDH1A1KEAP1P2RX1 | |
| SCHEMBL7499222 | 0.78 | F2R (0.51) | GAACES2CES1ALDH1A1KDM4E | |
| SCHEMBL690577 | 0.78 | KEAP1 (0.61) | GAACES2CES1ALDH1A1KEAP1 | |
| SCHEMBL10512113 | 0.78 | SLC6A4 (0.47) | CES2CES1ALDH1A1KDM4ENPC1 |
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-2024032584-A1 | PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF | 苏州必扬医药科技有限公司 | 2024-02-15 | — | — | WO | disclosed |