Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 9/20 | 0.53 |
| ▸ | IDH1 | O75874 | 2/20 | 0.52 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.50 |
| ▸ | HTR7 | P34969 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.48 |
| ▸ | LCK | P06239 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ASPH | Q12797 | 1/20 | 0.47 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.47 |
| ▸ | PLK1 | P53350 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30123472 | 0.87 | MAPK14 (0.56) | MAPK14IDH1HTR7HDAC3HDAC1 | |
| SCHEMBL20187393 | 0.87 | MAPK14 (0.56) | MAPK14IDH1HTR7HDAC3HDAC1 | |
| SCHEMBL6082153 | 0.85 | MAPK14 (0.54) | MAPK14IDH1HTR7HDAC3HDAC1 | |
| SCHEMBL6081327 | 0.80 | MAPK14 (0.52) | MAPK14HTR7HDAC3HDAC1HDAC2 | |
| SCHEMBL6082367 | 0.78 | MAPK14 (0.50) | MAPK14HTR7HDAC3HDAC1HDAC2 | |
| SCHEMBL6081490 | 0.78 | MAPK14 (0.50) | MAPK14HTR7HDAC3HDAC1HDAC2 | |
| SCHEMBL670174 | 0.77 | AURKA (0.53) | CAMK2D | |
| SCHEMBL6081738 | 0.77 | MAPK14 (0.49) | MAPK14HTR7HDAC3HDAC1HDAC2 | |
| SCHEMBL20209335 | 0.76 | ADORA2A (0.53) | IDH1 | |
| SCHEMBL28606159 | 0.76 | ALDH1A1 (0.51) | IDH1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110023298-B | Isocitrate Dehydrogenase (IDH) inhibitors | 浙江迈同生物医药有限公司 | 2022-12-16 | — | — | CN | disclosed |
| WO-2018095344-A1 | ISOCITRATE DEHYDROGENASE (IDH) INHIBITOR | SHANGHAI METON PHARMACEUTICAL CO., LTD (CN) | 2018-05-31 | — | — | WO | disclosed |