Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 6/20 | 0.48 |
| ▸ | CTSK | P43235 | 3/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TOP2A | P11388 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7656086 | 0.86 | CTSK (0.45) | ROCK2CTSKADORA3ADORA2AADORA1 | |
| SCHEMBL7679154 | 0.79 | ALDH1A1 (0.46) | ROCK2CTSKADORA3POLBALDH1A1 | |
| SCHEMBL7652516 | 0.78 | CTSK (0.46) | CTSKPOLBALDH1A1 | |
| SCHEMBL7652922 | 0.77 | CTSK (0.50) | CTSKADORA3ADORA2AADORA1ALDH1A1 | |
| SCHEMBL7649212 | 0.76 | CTSK (0.47) | CTSKADORA2AADORA1POLBALDH1A1 | |
| Dimethylamine SCHEMBL7656567 | 0.76 | ROCK2 (0.46) | ROCK2CTSKADORA3ADORA2AADORA1 | |
| SCHEMBL7652478 | 0.75 | CTSK (0.48) | ROCK2CTSKADORA3ADORA2AADORA1 | |
| SCHEMBL7652889 | 0.74 | CTSK (0.45) | ROCK2CTSKADORA3ADORA2AADORA1 | |
| SCHEMBL7658153 | 0.74 | ADORA3 (0.51) | ADORA3ADORA2AADORA1POLBALDH1A1 | |
| SCHEMBL7655384 | 0.73 | HPGD (0.43) | ADORA3ADORA2APOLBTOP2AALDH1A1 |
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 |