Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.42 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | PNMT | P11086 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GLS | O94925 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17755070 | 0.81 | ADRB2 (0.42) | ADRB2ADRB1NISCHAOC3CYP2D6 | |
| SCHEMBL4637099 | 0.78 | ESR1 (0.42) | ADRB2CYP2D6ALDH1A1CYP3A4TSHR | |
| SCHEMBL28555034 | 0.77 | TSHR (0.34) | CYP2D6ALDH1A1CYP3A4TSHRCYP2C19 | |
| SCHEMBL11437594 | 0.77 | TSHR (0.62) | NFKB1ALDH1A1HIF1ACYP1A2CYP3A4 | |
| SCHEMBL3766879 | 0.77 | ALDH1A1 (0.34) | ALDH1A1CYP3A4CASP1TSHRCYP2C19 | |
| SCHEMBL5322206 | 0.77 | ADRB2 (0.50) | ADRB2ADRB1NISCHAOC3CYP2D6 | |
| SCHEMBL31444491 | 0.77 | NISCH (0.44) | ADRB2ADRB1NISCHAOC3CYP2D6 | |
| SCHEMBL31257276 | 0.77 | ADRB2 (0.50) | ADRB2ADRB1NISCHAOC3CYP2D6 | |
| SCHEMBL9712800 | 0.77 | ADRB2 (0.39) | ADRB2ADRB1NISCHAOC3CYP2D6 | |
| SCHEMBL17790152 | 0.75 | TSHR (0.59) | ADRB2ADRB1NISCHAOC3CYP2D6 |
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 |