Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 10/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PAK4 | O96013 | 3/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6982529 | 1.00 | ROCK2 (0.43) | ROCK2CYP3A4SLC2A1CYP2C19PAK4 | |
| SCHEMBL6977152 | 0.94 | ACHE (0.43) | ROCK2PAK4HDAC1 | |
| SCHEMBL6977153 | 0.94 | ACHE (0.43) | ROCK2PAK4HDAC1 | |
| SCHEMBL8186879 | 0.93 | ROCK2 (0.48) | ROCK2CYP3A4SLC2A1CYP2C19HDAC3 | |
| SCHEMBL8186883 | 0.93 | ROCK2 (0.48) | ROCK2CYP3A4SLC2A1CYP2C19HDAC3 | |
| SCHEMBL7984825 | 0.91 | ROCK2 (0.41) | ROCK2CYP3A4SLC2A1CYP2C19PAK4 | |
| SCHEMBL6978482 | 0.91 | MEN1 (0.40) | ROCK2CYP3A4PAK4CYP2C9 | |
| SCHEMBL6978475 | 0.91 | MEN1 (0.40) | ROCK2CYP3A4PAK4CYP2C9 | |
| SCHEMBL14587215 | 0.90 | ROCK2 (0.40) | ROCK2SLC2A1GSK3B | |
| SCHEMBL4611892 | 0.90 | ROCK2 (0.40) | ROCK2SLC2A1GSK3B |
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 |
|---|---|---|---|---|---|---|---|
| EP-1071665-B1 | SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES | BOEHRINGER INGELHEIM PHARMA (DE) | 2003-10-01 | — | — | EP | disclosed |