Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | ROCK2 | O75116 | 17/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL16168731 | 0.88 | ROCK2 (0.68) | ROCK2 | |
| SCHEMBL10066563 | 0.78 | ROCK2 (0.77) | TP53MAPTROCK2MEN1NPC1 | |
| SCHEMBL10066158 | 0.77 | ROCK2 (0.77) | TP53MAPTROCK2 | |
| SCHEMBL10066414 | 0.77 | ROCK2 (0.77) | TP53MAPTROCK2 | |
| SCHEMBL10066189 | 0.76 | ROCK2 (0.78) | TP53MAPTROCK2 | |
| SCHEMBL10066416 | 0.76 | TP53 (0.52) | TP53MAPTROCK2 | |
| SCHEMBL16168732 | 0.74 | ROCK2 (0.82) | TP53MAPTROCK2 | |
| SCHEMBL3139724 | 0.72 | MAPT (0.74) | TP53MAPTMEN1NPC1ALDH1A1 | |
| SCHEMBL3109465 | 0.71 | NPC1 (0.77) | TP53MAPTMEN1NPC1ALDH1A1 | |
| SCHEMBL16168696 | 0.70 | ROCK2 (0.69) | ROCK2 |
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-2590950-B1 | N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2014-10-15 | — | — | EP | disclosed |