Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.67 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.67 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.67 |
| ▸ | EGFR | P00533 | 12/20 | 0.62 |
| ▸ | SRC | P12931 | 5/20 | 0.61 |
| ▸ | KDR | P35968 | 9/20 | 0.60 |
| ▸ | LCK | P06239 | 2/20 | 0.60 |
| ▸ | RET | P07949 | 2/20 | 0.60 |
| ▸ | MET | P08581 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | LTK | P29376 | 2/20 | 0.60 |
| ▸ | TNK2 | Q07912 | 2/20 | 0.60 |
| ▸ | MAP4K5 | Q9Y4K4 | 2/20 | 0.60 |
| ▸ | AURKA | O14965 | 2/20 | 0.60 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.60 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | FYN | P06241 | 1/20 | 0.60 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.60 |
| ▸ | TTK | P33981 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL6165405 | 1.00 | HDAC1 (0.67) | HDAC1HDAC3HDAC6EGFRSRC | |
| SCHEMBL6165398 | 0.94 | HDAC1 (0.67) | HDAC1HDAC3HDAC6EGFRSRC | |
| SCHEMBL6165402 | 0.94 | HDAC1 (0.67) | HDAC1HDAC3HDAC6EGFRSRC | |
| SCHEMBL6160847 | 0.88 | HDAC1 (0.71) | HDAC1HDAC3HDAC6EGFRSRC | |
| SCHEMBL6165533 | 0.88 | HDAC1 (0.71) | HDAC1HDAC3HDAC6EGFRSRC | |
| SCHEMBL5866422 | 0.85 | EGFR (0.75) | HDAC1HDAC3HDAC6EGFRSRC | |
| SCHEMBL5866417 | 0.85 | EGFR (0.75) | HDAC1HDAC3HDAC6EGFRSRC | |
| SCHEMBL6165289 | 0.84 | HDAC3 (0.53) | HDAC1HDAC3HDAC6EGFRKDR | |
| SCHEMBL6165900 | 0.84 | HDAC3 (0.53) | HDAC1HDAC3HDAC6EGFRKDR | |
| SCHEMBL6162812 | 0.84 | HDAC1 (0.69) | HDAC1HDAC3HDAC6EGFRSRC |
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 |
|---|---|---|---|---|---|---|---|
| EP-1280801-B1 | HYDANTOIN-CONTAINING GLUCOKINASE ACTIVATORS | HOFFMANN LA ROCHE (CH) | 2005-09-07 | — | — | EP | claimed |
| EP-1218357-B1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2005-04-06 | — | — | EP | claimed |