Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 7/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12362849 | 0.79 | ADORA3 (0.46) | ROCK2ADORA3KMT2ALMNAADORA2A | |
| Dimethylamine SCHEMBL7679157 | 0.77 | ALDH1A1 (0.48) | MEN1KMT2AALDH1A1LMNAL3MBTL1 | |
| SCHEMBL7656565 | 0.76 | ROCK2 (0.48) | ROCK2ADORA3ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL8787225 | 0.76 | MEN1 (0.44) | ADORA3MEN1KMT2AALDH1A1LMNA | |
| Dimethylamine SCHEMBL7652927 | 0.76 | MAPK14 (0.50) | ADORA3MEN1KMT2AALDH1A1LMNA | |
| Dimethylamine SCHEMBL7649217 | 0.74 | ALDH1A1 (0.45) | MEN1KMT2AALDH1A1LMNAL3MBTL1 | |
| Dimethylamine SCHEMBL7652490 | 0.74 | DHODH (0.52) | ROCK2ADORA3ADORA2AADORA1RIPK1 | |
| SCHEMBL7658153 | 0.73 | ADORA3 (0.51) | ADORA3KMT2AALDH1A1LMNAL3MBTL1 | |
| Dimethylamine SCHEMBL7652894 | 0.73 | ALDH1A1 (0.48) | ROCK2ADORA3MEN1KMT2AALDH1A1 | |
| SCHEMBL31315875 | 0.72 | CTSK (0.68) | ADORA3MAPK8CTSK |
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 |
|---|---|---|---|---|---|---|---|
| US-6492407-B2 | NEUROPROTECTIVE ACTIVITY | BOEHRINGER IMGELHEIM PHARMA KG (DE) | 2002-12-10 | — | — | US | disclosed |