Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | DOCK5 | Q9H7D0 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | FPR2 | P25090 | 1/20 | 0.34 |
| ▸ | OTUD7B | Q6GQQ9 | 1/20 | 0.34 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.34 |
| ▸ | EBP | Q15125 | 1/20 | 0.33 |
| ▸ | LIPE | Q05469 | 1/20 | 0.33 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21490366 | 1.00 | HDAC11 (0.38) | HDAC11MAPTDOCK5METAP2MEN1 | |
| SCHEMBL29443074 | 0.84 | HDAC11 (0.42) | HDAC11MAPTMEN1KMT2ALIPE | |
| SCHEMBL21490337 | 0.84 | HDAC11 (0.42) | HDAC11MAPTMEN1KMT2ALIPE | |
| SCHEMBL21490362 | 0.82 | ROCK2 (0.44) | OTUD7BLIPEAVPR1A | |
| SCHEMBL29443020 | 0.82 | ROCK2 (0.44) | OTUD7BLIPEAVPR1A | |
| SCHEMBL21084133 | 0.79 | HDAC11 (0.47) | HDAC11METAP2 | |
| SCHEMBL21084147 | 0.79 | HDAC11 (0.47) | HDAC11METAP2 | |
| SCHEMBL22355673 | 0.79 | ITGB3 (0.38) | HDAC11DOCK5METAP2LIPE | |
| SCHEMBL21490367 | 0.79 | ROCK2 (0.49) | — | |
| SCHEMBL29442925 | 0.79 | ROCK2 (0.49) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109689639-B | Spirolactams as ROCK inhibitors | 百时美施贵宝公司 | 2022-02-18 | — | — | CN | disclosed |