Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.47 |
| ▸ | KLK1 | P06870 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.45 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.45 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.45 |
| ▸ | STAT3 | P40763 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | GALR3 | O60755 | 1/20 | 0.42 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.42 |
| ▸ | PDE2A | O00408 | 1/20 | 0.42 |
| ▸ | PPID | Q08752 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8212242 | 0.91 | ROCK2 (0.52) | CA1CA2ROCK2ROCK1KLKB1 | |
| SCHEMBL8207800 | 0.91 | ROCK2 (0.47) | CA1CA2ROCK2ROCK1KLKB1 | |
| SCHEMBL8200906 | 0.90 | HPGD (0.54) | CA1CA2ROCK2ROCK1HPGD | |
| SCHEMBL8205692 | 0.88 | MAPK8 (0.47) | CA1CA2ROCK2ROCK1KLKB1 | |
| SCHEMBL8212034 | 0.88 | ROCK2 (0.47) | ROCK2ROCK1KLKB1KLK1 | |
| SCHEMBL12853369 | 0.85 | XDH (0.49) | CA1CA2ROCK2ROCK1HPGD | |
| SCHEMBL8207563 | 0.85 | MAPK8 (0.56) | CA1CA2MAPK8MAPK9MAPK10 | |
| SCHEMBL29333050 | 0.85 | SMN1; SMN2 (0.51) | CA1CA2HPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL8198502 | 0.84 | SMN1; SMN2 (0.53) | CA1CA2HPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL8211821 | 0.82 | ROCK2 (0.47) | CA1CA2ROCK2ROCK1HPGD |
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-2008082487-A2 | NOVEL JNK INHIBITORS | SCHERING CORPORATION (US) | 2008-07-10 | — | — | WO | disclosed |