Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.49 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | TACR3 | P29371 | 3/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.43 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.43 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.43 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14338266 | 0.88 | ROCK1 (0.50) | HDAC4HDAC7HDAC5CNR2MTOR | |
| SCHEMBL14338240 | 0.88 | ROCK1 (0.50) | HDAC4HDAC7HDAC5CNR2MTOR | |
| SCHEMBL14338398 | 0.82 | TAS1R3 (0.52) | ALDH1A1KCNQ2GPR139 | |
| SCHEMBL27393167 | 0.81 | MTOR (0.55) | HDAC4HDAC7HDAC5CNR2MTOR | |
| SCHEMBL13302598 | 0.81 | ALDH1A1 (0.58) | SLC6A9ALDH1A1 | |
| SCHEMBL14521519 | 0.81 | ALDH1A1 (0.58) | SLC6A9ALDH1A1 | |
| SCHEMBL13075562 | 0.78 | RPS6KB1 (0.43) | HDAC4HDAC7HDAC5RPS6KB1CNR2 | |
| SCHEMBL13075546 | 0.76 | RPS6KB1 (0.43) | HDAC4HDAC7HDAC5RPS6KB1CNR2 | |
| SCHEMBL27745177 | 0.76 | RPS6KB1 (0.43) | HDAC4HDAC7HDAC5RPS6KB1CNR2 | |
| SCHEMBL27766221 | 0.76 | RPS6KB1 (0.43) | HDAC4HDAC7HDAC5RPS6KB1CNR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7304071-B2 | Protein kinase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-12-04 | — | — | US | disclosed |