Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.63 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.63 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.63 |
| ▸ | PARP1 | P09874 | 10/20 | 0.62 |
| ▸ | DHODH | Q02127 | 3/20 | 0.60 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.59 |
| ▸ | PKN1 | Q16512 | 3/20 | 0.58 |
| ▸ | PKN2 | Q16513 | 3/20 | 0.58 |
| ▸ | PLK4 | O00444 | 1/20 | 0.56 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.56 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.56 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.56 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.56 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.56 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.56 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.56 |
| ▸ | PIM1 | P11309 | 1/20 | 0.56 |
| ▸ | PHKG2 | P15735 | 1/20 | 0.56 |
| ▸ | PRKACA | P17612 | 1/20 | 0.56 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL6806564 | 0.82 | ADORA3 (0.54) | ADORA3ADORA1ADORA2APARP1PARP2 | |
| SCHEMBL6587971 | 0.82 | ADORA3 (0.59) | ADORA3ADORA1ADORA2APARP1DHODH | |
| SCHEMBL6805503 | 0.81 | PARP1 (0.81) | PARP1DHODHPARP2PKN1PKN2 | |
| SCHEMBL6805003 | 0.79 | PKN1 (0.67) | PARP1DHODHPARP2PKN1PKN2 | |
| SCHEMBL31060640 | 0.78 | ADORA3 (1.00) | ADORA3ADORA1ADORA2A | |
| SCHEMBL31061052 | 0.78 | ADORA3 (1.00) | ADORA3ADORA1ADORA2A | |
| SCHEMBL458836 | 0.77 | PARP1 (1.00) | PARP1DHODHPARP2PKN1PKN2 | |
| SCHEMBL29412034 | 0.77 | PARP1 (1.00) | PARP1DHODHPARP2PKN1PKN2 | |
| SCHEMBL5076325 | 0.77 | ADORA3 (0.44) | ADORA3ADORA1ADORA2APARP1DHODH | |
| SCHEMBL658269 | 0.77 | PARP1 (0.70) | PARP1DHODHPARP2PKN1PKN2 |
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-6696437-B1 | Heterocyclically substituted benzimidazoles, the production and application thereof | ABBOTT GMBH & CO. KG (DE) | 2004-02-24 | — | — | US | disclosed |