Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 5/20 | 0.36 |
| ▸ | PPARA | Q07869 | 5/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 2/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 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 | |
|---|---|---|---|---|
| SCHEMBL21362766 | 0.81 | ALDH1A1 (0.41) | ALDH1A1ROCK2ROCK1BTK | |
| SCHEMBL20157681 | 0.80 | ALDH1A1 (0.40) | ALDH1A1ROCK2ROCK1 | |
| SCHEMBL20157608 | 0.78 | ALDH1A1 (0.44) | ALDH1A1 | |
| SCHEMBL21362443 | 0.75 | TAS2R14 (0.35) | MTNR1AMTNR1BALDH1A1ROCK2ROCK1 | |
| SCHEMBL21351917 | 0.74 | ALDH1A1 (0.40) | ALDH1A1BTK | |
| SCHEMBL20157679 | 0.74 | ALDH1A1 (0.40) | ALDH1A1ROCK2ROCK1 | |
| SCHEMBL21352181 | 0.73 | ALDH1A1 (0.34) | ALDH1A1ROCK2ROCK1 | |
| SCHEMBL21351918 | 0.73 | ROCK2 (0.42) | ALDH1A1ROCK2ROCK1 | |
| SCHEMBL20158172 | 0.73 | ALDH1A1 (0.39) | ALDH1A1ROCK2ROCK1BTK | |
| SCHEMBL20157484 | 0.72 | ALDH1A1 (0.48) | ALDH1A1BTK |
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-3539960-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) | 2019-09-18 | — | — | EP | disclosed |