Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | PI4KA | P42356 | 1/20 | 0.31 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4285908 | 0.73 | ROCK2 (0.44) | ROCK2ROCK1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20855280 | 0.62 | ABL1 (0.57) | SMN1; SMN2LMNAPIK3CDPIP5K1CPIK3CA | |
| SCHEMBL4284870 | 0.59 | ROCK2 (0.60) | ROCK2ROCK1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4555423 | 0.58 | MPO (0.44) | ROCK2ROCK1SMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL8548188 | 0.58 | RAB9A (0.51) | CYP3A4LMNAPIK3CDPIP5K1CPIK3CA | |
| SCHEMBL29078645 | 0.58 | HSD17B10 (0.53) | CYP3A4CYP2D6CYP2C9PIK3CDPIP5K1C | |
| SCHEMBL1010573 | 0.57 | MTNR1A (0.55) | ADORA2AADORA1ROCK2ROCK1CYP3A4 | |
| SCHEMBL2944410 | 0.56 | ALDH1A1 (0.45) | ADORA2AADORA1CYP3A4CYP2D6SMN1; SMN2 | |
| SCHEMBL3749352 | 0.56 | ADRA1D (0.51) | CYP3A4CYP2D6SMN1; SMN2 | |
| SCHEMBL31407536 | 0.56 | MTNR1A (0.53) | ADORA2AADORA1ROCK2ROCK1CYP3A4 |
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-2009126635-A1 | 2-AMINO-BENZOTHIAZOLE DERIVATES USEFUL AS INHIBITORS OF ROCK KINASES | ABBOTT LABORATORIES (US) | 2009-10-15 | — | — | WO | disclosed |