Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 6/20 | 0.39 |
| ▸ | MERTK | Q12866 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 3/20 | 0.38 |
| ▸ | JUN | P05412 | 2/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.38 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 4/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | CDK7 | P50613 | 4/20 | 0.35 |
| ▸ | CDK9 | P50750 | 4/20 | 0.35 |
| ▸ | CCNH | P51946 | 4/20 | 0.35 |
| ▸ | MNAT1 | P51948 | 4/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.35 |
| ▸ | CCNK | O75909 | 3/20 | 0.34 |
| ▸ | CDK13 | Q14004 | 3/20 | 0.34 |
| ▸ | CDK12 | Q9NYV4 | 3/20 | 0.34 |
| ▸ | CDK3 | Q00526 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30886776 | 0.84 | HTR6 (0.43) | EGFRCDK2JUNMAPK8MAPK9 | |
| SCHEMBL28552291 | 0.83 | CDK2 (0.56) | CDK2JUNMAPK8MAPK9MAPK10 | |
| SCHEMBL18068876 | 0.82 | CCNK (0.42) | EGFRMERTKCDK2MAPK8MAPK9 | |
| SCHEMBL16655163 | 0.81 | HTR6 (0.57) | EGFRMERTKHTR6BCHECDK9 | |
| SCHEMBL21234246 | 0.81 | LCK (0.42) | EGFRCDK2JUNMAPK8MAPK9 | |
| SCHEMBL16655165 | 0.81 | HTR6 (0.46) | EGFRMERTKCDK2MAPK8MAPK9 | |
| SCHEMBL20041265 | 0.80 | EGFR (0.43) | EGFRHTR6CDK7CDK9CCNH | |
| SCHEMBL16664893 | 0.79 | CDK2 (0.50) | CDK2JUNMAPK8MAPK9MAPK10 | |
| SCHEMBL20041267 | 0.79 | HTR6 (0.39) | EGFRMERTKCDK2HTR6BCHE | |
| Trifluoroacetic Acid SCHEMBL16654807 | 0.78 | HTR6 (0.41) | EGFRCDK2JUNMAPK8MAPK9 |
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-112574255-A | Organic arsine-based CDK inhibitor and preparation method and application thereof | 中国科学院上海有机化学研究所 | 2021-03-30 | — | — | CN | disclosed |