Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | BUB1 | O43683 | 1/20 | 0.40 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.35 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | STS | P08842 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10225711 | 0.78 | HSP90AA1 (0.42) | HSP90AA1HSP90AB1BCHEBUB1PIK3R1 | |
| SCHEMBL4916320 | 0.77 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1BCHEBUB1PIK3R1 | |
| SCHEMBL15417736 | 0.77 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1BCHEBUB1PIK3R1 | |
| SCHEMBL163016 | 0.77 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1BCHEBUB1PIK3R1 | |
| SCHEMBL7361304 | 0.76 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1BCHEBUB1PIK3R1 | |
| SCHEMBL8264796 | 0.76 | HSP90AA1 (0.46) | HSP90AA1HSP90AB1BCHEBUB1PIK3R1 | |
| SCHEMBL19204908 | 0.76 | HSP90AA1 (0.46) | HSP90AA1HSP90AB1BCHEBUB1PIK3R1 | |
| SCHEMBL24914436 | 0.76 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1BCHEBUB1PIK3R1 | |
| SCHEMBL2616414 | 0.76 | HSP90AA1 (0.46) | HSP90AA1HSP90AB1BCHEBUB1PIK3R1 | |
| SCHEMBL13180192 | 0.76 | HSP90AA1 (0.46) | HSP90AA1HSP90AB1BCHEBUB1PIK3R1 |
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 |