Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.44 |
| ▸ | TGFBR1 | P36897 | 15/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | CCR1 | P32246 | 1/20 | 0.41 |
| ▸ | CCR8 | P51685 | 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 | |
|---|---|---|---|---|
| SCHEMBL13728633 | 0.82 | CYP2A6 (0.51) | CYP2A6IRAK4TGFBR1GRM5CCR1 | |
| SCHEMBL29457060 | 0.78 | PTGS2 (0.46) | — | |
| SCHEMBL29457352 | 0.78 | KMO (0.42) | — | |
| SCHEMBL14593498 | 0.77 | HTT (0.44) | IRAK4GRM5CCR1CCR8 | |
| SCHEMBL17675612 | 0.74 | PIM2 (0.45) | — | |
| SCHEMBL1851645 | 0.74 | ADRA2A (0.42) | CCR1CCR8 | |
| SCHEMBL3421947 | 0.73 | CYP2A6 (0.65) | CYP2A6TGFBR1GRM5CCR1CCR8 | |
| SCHEMBL30146674 | 0.73 | CYP2A6 (0.65) | CYP2A6TGFBR1GRM5CCR1CCR8 | |
| SCHEMBL29457088 | 0.73 | CYP1A2 (0.38) | — | |
| SCHEMBL29457476 | 0.73 | CHEK1 (0.48) | CYP2A6 |
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-2022073904-A1 | MRGX2 ANTAGONISTS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2022-04-14 | — | — | WO | disclosed |