Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | NFATC1 | O95644 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | BUB1 | O43683 | 2/20 | 0.34 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PRKCI | P41743 | 1/20 | 0.32 |
| ▸ | CDC7 | O00311 | 2/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 3/20 | 0.32 |
| ▸ | PNMT | P11086 | 3/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.32 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 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 | |
|---|---|---|---|---|
| SCHEMBL16518154 | 0.74 | NFATC1 (0.38) | GSK3BNFATC1DYRK1ACHRNB2CHRNA4 | |
| SCHEMBL16518149 | 0.72 | PNMT (0.42) | GSK3BNFATC1DYRK1ACHRNB2CHRNA4 | |
| SCHEMBL28453343 | 0.71 | RPS6KA3 (0.35) | GSK3BNFATC1DYRK1ACHRNB2CHRNA4 | |
| SCHEMBL16492153 | 0.69 | PKN2 (0.62) | GSK3BNFATC1DYRK1ACHRNB2CHRNA4 | |
| SCHEMBL16518147 | 0.69 | PNMT (0.40) | CHRNB2CHRNA4BUB1CDC7PNMT | |
| SCHEMBL24188018 | 0.69 | PDCD1 (0.49) | GSK3BNFATC1DYRK1ACHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL17783202 | 0.68 | PKN2 (0.60) | GSK3BNFATC1DYRK1ACHRNB2CHRNA4 | |
| SCHEMBL31301252 | 0.68 | GSK3B (0.59) | GSK3BNFATC1DYRK1ACCNCCDK8 | |
| SCHEMBL28449111 | 0.65 | ATR (0.34) | GSK3B | |
| SCHEMBL16518159 | 0.63 | CDC7 (0.39) | GSK3BCHRNB2CHRNA4BUB1PRKCI |
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-107629059-B | Compounds useful as inhibitors of ATR kinase | 沃泰克斯药物股份有限公司 | 2020-07-28 | — | — | CN | disclosed |