Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 2/20 | 0.69 |
| ▸ | GSK3B | P49841 | 2/20 | 0.69 |
| ▸ | PTK2 | Q05397 | 10/20 | 0.59 |
| ▸ | JAK2 | O60674 | 2/20 | 0.59 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.59 |
| ▸ | TYK2 | P29597 | 1/20 | 0.59 |
| ▸ | KDR | P35968 | 1/20 | 0.59 |
| ▸ | JAK3 | P52333 | 1/20 | 0.59 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.59 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.59 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.59 |
| ▸ | CDC7 | O00311 | 1/20 | 0.56 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.56 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.56 |
| ▸ | PIM1 | P11309 | 1/20 | 0.56 |
| ▸ | PRKACA | P17612 | 1/20 | 0.56 |
| ▸ | CDK7 | P50613 | 1/20 | 0.56 |
| ▸ | CDK9 | P50750 | 1/20 | 0.56 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.56 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL30471334 | 0.87 | GSK3A (0.67) | GSK3AGSK3BPTK2JAK2NTRK1 | |
| SCHEMBL25692194 | 0.87 | GSK3A (0.67) | GSK3AGSK3BPTK2JAK2NTRK1 | |
| SCHEMBL25692152 | 0.87 | CDC7 (0.52) | GSK3AGSK3BPTK2JAK2NTRK1 | |
| SCHEMBL25692573 | 0.86 | AURKA (0.70) | GSK3AGSK3BPTK2JAK2JAK3 | |
| SCHEMBL25692215 | 0.85 | PTK2 (0.58) | PTK2JAK2NTRK1TYK2KDR | |
| SCHEMBL25692208 | 0.82 | HDAC6 (0.56) | GSK3AGSK3BPTK2JAK2NTRK1 | |
| SCHEMBL24752993 | 0.82 | GSK3A (0.73) | GSK3AGSK3BPTK2JAK2NTRK1 | |
| SCHEMBL24752211 | 0.81 | GSK3A (0.72) | GSK3AGSK3BPTK2JAK2NTRK1 | |
| SCHEMBL25692349 | 0.80 | AURKA (0.52) | GSK3AGSK3BJAK2NTRK2CDC7 | |
| SCHEMBL24752409 | 0.79 | GSK3A (0.68) | GSK3AGSK3BPTK2JAK2NTRK1 |
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-2023121251-A1 | EGFR AND HDAC DUAL INHIBITOR COMPOUNDS AND MEDICAL USE THEREOF | 한국원자력의학원 | 2023-06-29 | — | — | WO | disclosed |