Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 2/20 | 0.54 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.54 |
| ▸ | MTOR | P42345 | 3/20 | 0.53 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.52 |
| ▸ | JAK2 | O60674 | 3/20 | 0.47 |
| ▸ | JAK3 | P52333 | 3/20 | 0.47 |
| ▸ | ATR | Q13535 | 3/20 | 0.47 |
| ▸ | ATRIP | Q8WXE1 | 2/20 | 0.47 |
| ▸ | RAF1 | P04049 | 4/20 | 0.47 |
| ▸ | BRAF | P15056 | 4/20 | 0.47 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.46 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.45 |
| ▸ | STK4 | Q13043 | 1/20 | 0.45 |
| ▸ | STK3 | Q13188 | 1/20 | 0.45 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6170360 | 0.85 | PIK3CA (0.51) | PIK3CAPIK3CGMTORPIK3CBJAK2 | |
| SCHEMBL31301537 | 0.76 | LRRK2 (0.72) | LRRK2STK4STK3 | |
| SCHEMBL6169775 | 0.76 | CNR2 (0.44) | PIK3CAPIK3CGMTORJAK2LRRK2 | |
| SCHEMBL6169601 | 0.74 | PTGS2 (0.58) | KDM4EATM | |
| SCHEMBL6069405 | 0.74 | PTGS2 (0.48) | JAK2LRRK2ACVR1 | |
| SCHEMBL6069433 | 0.74 | RIPK2 (0.50) | PIK3CAJAK2ATRPTK2STK3 | |
| SCHEMBL6169315 | 0.73 | PTGS2 (0.57) | KDM4EATM | |
| SCHEMBL5204774 | 0.73 | PTGS2 (0.60) | JAK2JAK3ATRLRRK2KMT2A | |
| SCHEMBL6170358 | 0.72 | PTGS2 (0.63) | PIK3CAPIK3CG | |
| SCHEMBL6170721 | 0.72 | PTGS2 (0.51) | PIK3CAMTORPIK3CB |
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-2021143927-A1 | COMPOUND ACTING AS BCR-ABL INHIBITOR | 正大天晴药业集团股份有限公司 | 2021-07-22 | — | — | WO | disclosed |