Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 2/20 | 0.71 |
| ▸ | BRAF | P15056 | 1/20 | 0.71 |
| ▸ | EGFR | P00533 | 13/20 | 0.71 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.71 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.71 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.71 |
| ▸ | HDAC7 | Q8WUI4 | 6/20 | 0.71 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.71 |
| ▸ | HDAC10 | Q969S8 | 6/20 | 0.71 |
| ▸ | HDAC11 | Q96DB2 | 6/20 | 0.71 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.71 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.71 |
| ▸ | HDAC9 | Q9UKV0 | 6/20 | 0.71 |
| ▸ | HDAC5 | Q9UQL6 | 6/20 | 0.71 |
| ▸ | ERBB2 | P04626 | 5/20 | 0.71 |
| ▸ | FBP1 | P09467 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL22338174 | 0.89 | EGFR (0.80) | KDREGFRHDAC3HDAC4HDAC1 | |
| SCHEMBL12694351 | 0.88 | EGFR (0.67) | KDRBRAFEGFRERBB2FBP1 | |
| SCHEMBL12694359 | 0.87 | BRAF (0.72) | KDRBRAFEGFR | |
| SCHEMBL22336875 | 0.86 | EGFR (0.87) | KDREGFRHDAC3HDAC4HDAC1 | |
| SCHEMBL8211574 | 0.85 | HDAC3 (0.89) | KDREGFRHDAC3HDAC4HDAC1 | |
| SCHEMBL10118455 | 0.85 | HDAC3 (0.83) | KDREGFRHDAC3HDAC4HDAC1 | |
| SCHEMBL8205069 | 0.84 | HDAC3 (0.93) | KDREGFRHDAC3HDAC4HDAC1 | |
| SCHEMBL8205595 | 0.84 | HDAC3 (0.98) | KDREGFRHDAC3HDAC4HDAC1 | |
| SCHEMBL8212695 | 0.84 | HDAC3 (0.98) | KDREGFRHDAC3HDAC4HDAC1 | |
| SCHEMBL24535320 | 0.84 | EGFR (0.72) | KDREGFRHDAC3HDAC4HDAC1 |
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-2012089137-A1 | ARYLUREA COMPOUND, INTERMEDIATE AND USE THEREOF | 上海医药工业研究院 (CN) | 2012-07-05 | — | — | WO | disclosed |