Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 10/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 8/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | JAK2 | O60674 | 2/20 | 0.46 |
| ▸ | TYK2 | P29597 | 2/20 | 0.46 |
| ▸ | JAK1 | P23458 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | STAT3 | P40763 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4520733 | 1.00 | AAK1 (0.52) | AAK1ROCK2ROCK1POLBTAAR1 | |
| SCHEMBL4518392 | 0.84 | HDAC4 (0.56) | AAK1ROCK2ROCK1POLBTAAR1 | |
| SCHEMBL4527223 | 0.82 | AAK1 (0.53) | AAK1ROCK2ROCK1TAAR1JAK2 | |
| SCHEMBL14605521 | 0.81 | AAK1 (0.52) | AAK1ROCK2ROCK1POLBTAAR1 | |
| SCHEMBL4529608 | 0.81 | AAK1 (0.49) | AAK1ROCK2ROCK1POLBTAAR1 | |
| SCHEMBL27744413 | 0.81 | ROCK2 (0.62) | AAK1ROCK2ROCK1POLBTAAR1 | |
| SCHEMBL4527170 | 0.81 | ROCK2 (0.62) | AAK1ROCK2ROCK1POLBTAAR1 | |
| SCHEMBL4531698 | 0.81 | ROCK2 (0.62) | AAK1ROCK2ROCK1POLBTAAR1 | |
| SCHEMBL10267381 | 0.79 | AAK1 (0.58) | AAK1ROCK2ROCK1POLBTAAR1 | |
| SCHEMBL4525580 | 0.79 | AAK1 (0.58) | AAK1ROCK2ROCK1POLBTAAR1 |
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-101253152-A | Amide derivatives as ROCK inhibitors | ASTELLAS PHARMA INC (JP) | 2008-08-27 | — | — | CN | disclosed |