Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 16/20 | 0.54 |
| ▸ | GRK6 | P43250 | 1/20 | 0.48 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.44 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.44 |
| ▸ | CSNK1G1 | Q9HCP0 | 2/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | FGR | P09769 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | PLEC | Q15149 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9861506 | 0.79 | PDK2 (0.57) | PDK2 | |
| SCHEMBL9861564 | 0.73 | ADORA2A (0.36) | PDK2GRK6CSNK1A1CSNK1DCSNK1G1 | |
| SCHEMBL9861335 | 0.73 | PDK2 (0.48) | PDK2MAOAMEN1HPGDKMT2A | |
| SCHEMBL9861622 | 0.70 | PDK2 (0.76) | PDK2 | |
| SCHEMBL9861381 | 0.70 | PDK2 (0.58) | PDK2 | |
| SCHEMBL13128002 | 0.70 | PDK2 (1.00) | PDK2 | |
| SCHEMBL14907874 | 0.65 | GRK6 (1.00) | PDK2GRK6CSNK1A1CSNK1DCSNK1G1 | |
| SCHEMBL29361319 | 0.64 | ADORA2A (1.00) | GRK6CSNK1A1CSNK1DCSNK1G1ADORA2A | |
| SCHEMBL525762 | 0.64 | ADORA2A (1.00) | GRK6CSNK1A1CSNK1DCSNK1G1ADORA2A | |
| Hydrochloric Acid SCHEMBL8643536 | 0.62 | ADORA2A (0.95) | GRK6CSNK1A1CSNK1DCSNK1G1ADORA2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5008425-A | Trifluoromethylation of carbonyl compounds | ETHYL CORPORATION (US) | 1991-04-16 | — | — | US | disclosed |
| US-4871877-A | Gem-disubstituted cyclohexadienones and their production | ETHYL CORPORATION (US) | 1989-10-03 | — | — | US | disclosed |