Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 9/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | CCNC | P24863 | 1/20 | 0.34 |
| ▸ | CDK8 | P49336 | 1/20 | 0.34 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.34 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 3/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 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 | |
|---|---|---|---|---|
| SCHEMBL16720652 | 0.83 | PARP1 (0.32) | ROCK2PARP1CCNCCDK8HASPIN | |
| SCHEMBL3076866 | 0.79 | ALDH1A1 (0.41) | ROCK2 | |
| SCHEMBL31023154 | 0.79 | ALDH1A1 (0.41) | ROCK2 | |
| SCHEMBL2029210 | 0.79 | JAK2 (0.39) | ROCK2PARP1 | |
| SCHEMBL3823509 | 0.77 | CCNC (0.34) | ROCK2PARP1CCNCCDK8HASPIN | |
| SCHEMBL19743547 | 0.77 | F11 (0.37) | ROCK2PARP1 | |
| SCHEMBL22616472 | 0.76 | JAK2 (0.39) | SLC6A2SLC6A4SLC6A3HTR1A | |
| SCHEMBL22208161 | 0.76 | JAK2 (0.38) | HTR1A | |
| SCHEMBL2976919 | 0.75 | KDM4E (0.45) | PARP1SLC6A2SLC6A4SLC6A3HTR1A | |
| SCHEMBL22468496 | 0.74 | BTK (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2280943-A1 | NEW SUBSTITUTED SPIROÝCYCLOALKYL-1,3'-INDOL¨-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS. | Almirall, S.A. (ES) | 2011-02-09 | — | — | EP | disclosed |
| WO-2010069504-A1 | (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS | ALMIRALL, S.A. (ES) | 2010-06-24 | — | — | WO | disclosed |