Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CTSA | P10619 | 3/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13076103 | 0.79 | ESR1 (0.41) | CYP2D6CTSASLC6A2SLC6A4 | |
| SCHEMBL11624515 | 0.79 | NISCH (0.53) | ADRB2ADRB1CYP2D6NFKB1HIF1A | |
| SCHEMBL8351658 | 0.79 | HTR2A (0.34) | CYP2D6AOC3CYP2C19TAAR1ALDH1A1 | |
| SCHEMBL17582487 | 0.78 | CTSA (0.45) | ADRB2ADRB1CYP2D6NFKB1HIF1A | |
| SCHEMBL30878580 | 0.78 | HTT (0.38) | CYP2D6AOC3CYP2C19TAAR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11629925 | 0.78 | NISCH (0.51) | ADRB2ADRB1CYP2D6NFKB1HIF1A | |
| SCHEMBL22244617 | 0.77 | ADRB2 (0.41) | ADRB2ADRB1CYP2D6NFKB1HIF1A | |
| SCHEMBL22162241 | 0.76 | NISCH (0.44) | ADRB2ADRB1CYP2D6NFKB1HIF1A | |
| SCHEMBL9640976 | 0.75 | SLC6A4 (0.50) | CYP2C19ALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL9284882 | 0.75 | ADRB2 (0.44) | ADRB2ADRB1CYP2D6NFKB1HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-4397309-A2 | BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF | F. Hoffmann-La Roche AG (CH) | 2024-07-10 | — | — | EP | disclosed |