Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 8/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.39 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | STK4 | Q13043 | 1/20 | 0.37 |
| ▸ | STK3 | Q13188 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | TEC | P42680 | 1/20 | 0.36 |
| ▸ | BMX | P51813 | 1/20 | 0.36 |
| ▸ | CD69 | Q07108 | 1/20 | 0.36 |
| ▸ | ITK | Q08881 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.36 |
| ▸ | GP6 | Q9HCN6 | 1/20 | 0.36 |
| ▸ | NUDT5 | Q9UKK9 | 1/20 | 0.36 |
| ▸ | KHK | P50053 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19004853 | 0.76 | IRAK4 (0.43) | EGFR | |
| SCHEMBL26496338 | 0.75 | USP7 (0.41) | BTKFFAR2ADORA2APDE10AHRH4 | |
| SCHEMBL19004849 | 0.74 | HPGDS (0.44) | ADORA2AEGFRJAK2JAK1 | |
| SCHEMBL25075340 | 0.71 | BTK (0.36) | BTKFFAR2PIK3CDADORA2APDE10A | |
| SCHEMBL26493919 | 0.71 | BTK (0.36) | BTKFFAR2ADORA2APDE10AHRH4 | |
| SCHEMBL20732651 | 0.71 | TRPM8 (0.51) | TRPM8PDE10AKHK | |
| SCHEMBL17369356 | 0.71 | GSK3B (0.46) | — | |
| SCHEMBL12590817 | 0.70 | RAB9A (0.48) | FFAR2PDE10AHRH4STK4STK3 | |
| SCHEMBL14241098 | 0.68 | AURKA (0.49) | FFAR2STK4STK3KHKJAK2 | |
| SCHEMBL26493925 | 0.67 | BTK (0.41) | BTKEGFRTECBMXCD69 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017102091-A1 | HETEROARYLBENZIMIDAZOLE COMPOUNDS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-06-22 | — | — | WO | disclosed |