Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | ACVRL1 | P37023 | 2/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.34 |
| ▸ | CDK2 | P24941 | 2/20 | 0.34 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.34 |
| ▸ | EGFR | P00533 | 2/20 | 0.34 |
| ▸ | SRC | P12931 | 2/20 | 0.34 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.33 |
| ▸ | PRKDC | P78527 | 2/20 | 0.33 |
| ▸ | ULK1 | O75385 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16075033 | 0.84 | RET (0.38) | SRCRETPIK3CDPIK3CAPIK3CB | |
| SCHEMBL29778119 | 0.77 | IRAK4 (0.39) | JAK2JAK1RETPIK3CDPIK3CA | |
| SCHEMBL30515860 | 0.71 | EGFR (0.33) | ACVRL1EGFRSRCABL1 | |
| SCHEMBL9900029 | 0.71 | BTK (0.46) | JAK2JAK1JAK3BTKIKBKB | |
| SCHEMBL9900173 | 0.71 | BTK (0.46) | JAK2JAK1JAK3BTKIKBKB | |
| Hydrochloric Acid SCHEMBL16654494 | 0.70 | PIK3CD (0.53) | BTKSRCPIK3CDPIK3CAPIK3CB | |
| SCHEMBL30387689 | 0.69 | PIK3CD (0.65) | BTKPIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL28063328 | 0.68 | CHEK1 (0.42) | IKBKBCHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL28345670 | 0.68 | JAK3 (0.59) | JAK2JAK1JAK3 | |
| SCHEMBL1536074 | 0.67 | JAK2 (0.52) | JAK2JAK1JAK3 |
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-105985343-A | Preparation method for ibrutinib | 上海昶朗医药科技有限公司 | 2016-10-05 | — | — | CN | disclosed |