Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.56 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.56 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.56 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.56 |
| ▸ | ABL1 | P00519 | 1/20 | 0.56 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.56 |
| ▸ | PIM1 | P11309 | 1/20 | 0.56 |
| ▸ | PRKACA | P17612 | 1/20 | 0.56 |
| ▸ | LTK | P29376 | 1/20 | 0.56 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.56 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.56 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.56 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.56 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.56 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.56 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.56 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.56 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.56 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.56 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL8976752 | 0.78 | EGFR (0.78) | EGFRABCG2DAPK3MAP4K4ABL1 | |
| SCHEMBL10970832 | 0.77 | ADORA3 (0.55) | EGFRABCG2DAPK3MAP4K4ABL1 | |
| SCHEMBL27645454 | 0.75 | EGFR (0.61) | EGFRABCG2DAPK3MAP4K4ABL1 | |
| SCHEMBL30317647 | 0.75 | EGFR (0.61) | EGFRABCG2DAPK3MAP4K4ABL1 | |
| SCHEMBL883724 | 0.75 | EGFR (0.61) | EGFRABCG2DAPK3MAP4K4ABL1 | |
| SCHEMBL18552030 | 0.75 | EGFR (0.61) | EGFRABCG2DAPK3MAP4K4ABL1 | |
| SCHEMBL3874722 | 0.75 | EGFR (0.61) | EGFRABCG2DAPK3MAP4K4ABL1 | |
| SCHEMBL10967595 | 0.73 | CYP1A2 (0.55) | EGFRABCG2DAPK3MAP4K4ABL1 | |
| SCHEMBL8920 | 0.72 | EGFR (1.00) | EGFRABCG2DAPK3MAP4K4ABL1 | |
| SCHEMBL29941271 | 0.72 | EGFR (1.00) | EGFRABCG2DAPK3MAP4K4ABL1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108699038-A | Loop coil heptane salicylamide and related compound as Rock inhibitor | 百时美施贵宝公司 | 2018-10-23 | — | — | CN | disclosed |
| CN-108430994-A | Compound, composition and method for adjusting CFTR | 蛋白质平衡治疗股份有限公司 | 2018-08-21 | — | — | CN | disclosed |
| CN-105636958-B | DNA PK inhibitor | 沃泰克斯药物股份有限公司 | 2018-01-05 | — | — | CN | disclosed |
| CN-106986863-A | DNA PK inhibitor | 沃泰克斯药物股份有限公司 | 2017-07-28 | — | — | CN | disclosed |
| CN-106977495-A | DNA PK inhibitor | 沃泰克斯药物股份有限公司 | 2017-07-25 | — | — | CN | disclosed |
| CN-105658639-A | Alkynyl alcohols and methods of use | 豪夫迈·罗氏有限公司 | 2016-06-08 | — | — | CN | disclosed |