Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 19/20 | 0.66 |
| ▸ | HDAC3 | O15379 | 12/20 | 0.66 |
| ▸ | HDAC4 | P56524 | 12/20 | 0.66 |
| ▸ | HDAC1 | Q13547 | 12/20 | 0.66 |
| ▸ | HDAC7 | Q8WUI4 | 12/20 | 0.66 |
| ▸ | HDAC2 | Q92769 | 12/20 | 0.66 |
| ▸ | HDAC10 | Q969S8 | 12/20 | 0.66 |
| ▸ | HDAC11 | Q96DB2 | 12/20 | 0.66 |
| ▸ | HDAC8 | Q9BY41 | 12/20 | 0.66 |
| ▸ | HDAC6 | Q9UBN7 | 12/20 | 0.66 |
| ▸ | HDAC9 | Q9UKV0 | 12/20 | 0.66 |
| ▸ | HDAC5 | Q9UQL6 | 12/20 | 0.66 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.62 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.62 |
| ▸ | EGFR | P00533 | 3/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL5473733 | 0.90 | KDR (0.74) | KDRAURKBIRAK4EGFR | |
| Hydrochloric Acid SCHEMBL5477767 | 0.89 | EGFR (0.73) | KDRAURKBIRAK4EGFR | |
| SCHEMBL28646400 | 0.86 | KDR (0.80) | KDRHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL3534088 | 0.85 | AURKB (0.84) | KDRAURKBIRAK4EGFR | |
| SCHEMBL14964688 | 0.85 | EGFR (0.80) | KDRHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL6688859 | 0.85 | KDR (0.67) | KDRAURKBIRAK4EGFR | |
| SCHEMBL6696102 | 0.85 | KDR (0.72) | KDRAURKBEGFR | |
| SCHEMBL28635157 | 0.85 | EGFR (0.79) | KDRAURKBEGFR | |
| SCHEMBL6686765 | 0.85 | EGFR (0.79) | KDRAURKBIRAK4EGFR | |
| SCHEMBL29449675 | 0.85 | KDR (0.60) | KDRHDAC3HDAC4HDAC1HDAC7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004069145-A2 | ANTICANCER COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2004-08-19 | — | — | WO | disclosed |