Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.59 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.59 |
| ▸ | IDH2 | P48735 | 2/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | SYK | P43405 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL28549783 | 1.00 | HRH4 (0.59) | HRH4HRH3IDH2MKNK1MKNK2 | |
| Trifluoroacetic Acid SCHEMBL28549612 | 0.85 | HRH4 (0.51) | HRH4HRH3IDH2SLC2A1MAPK1 | |
| Trifluoroacetic Acid SCHEMBL28549613 | 0.85 | HRH4 (0.51) | HRH4HRH3IDH2SLC2A1MAPK1 | |
| Trifluoroacetic Acid SCHEMBL28555886 | 0.85 | HRH4 (0.51) | HRH4HRH3IDH2MAPK1SYK | |
| Trifluoroacetic Acid SCHEMBL28555887 | 0.85 | HRH4 (0.51) | HRH4HRH3IDH2MAPK1SYK | |
| SCHEMBL17961784 | 0.85 | KDM4E (0.55) | HRH4HRH3IDH2MKNK1MKNK2 | |
| SCHEMBL17961788 | 0.85 | KDM4E (0.55) | HRH4HRH3IDH2MKNK1MKNK2 | |
| SCHEMBL17961781 | 0.85 | KDM4E (0.55) | HRH4HRH3IDH2MKNK1MKNK2 | |
| Hydrochloric Acid SCHEMBL4112492 | 0.83 | KDM4E (0.53) | HRH4HRH3IDH2MKNK1MKNK2 | |
| Trifluoroacetic Acid SCHEMBL26600062 | 0.80 | HRH4 (0.53) | HRH4HRH3IDH2CACNA1BCDK4 |
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-112638373-A | Cyclin-dependent kinase inhibitors | 金耐特生物制药公司 | 2021-04-09 | — | — | CN | disclosed |