Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.39 |
| ▸ | EGLN2 | Q96KS0 | 4/20 | 0.38 |
| ▸ | GRM5 | P41594 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.32 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22695168 | 0.75 | IL1B (0.47) | NLRP3 | |
| SCHEMBL2153449 | 0.71 | TTR (0.44) | EGLN2KDM4EALDH1A1CYP2A6 | |
| SCHEMBL16632485 | 0.70 | ALDH1A1 (0.42) | NOS1CYP3A4ALDH1A1 | |
| SCHEMBL3366423 | 0.69 | NOS3 (0.43) | EGLN2GRM5NOS3NOS1KCNH2 | |
| SCHEMBL1182463 | 0.67 | ALDH1A1 (0.50) | EGLN2ABCC3ESR1CYP1A2PGR | |
| SCHEMBL22637414 | 0.67 | GRM5 (0.49) | GRM5KDM4EALDH1A1 | |
| SCHEMBL22545493 | 0.66 | BCAT2 (0.39) | NOS3NOS1SLC6A2KDM4EALDH1A1 | |
| SCHEMBL22636877 | 0.66 | LRRK2 (0.35) | EGLN2CYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL22670556 | 0.66 | IL1B (0.60) | NLRP3 | |
| SCHEMBL17527146 | 0.65 | ALDH1A1 (0.44) | EGLN2GRM5NOS3NOS1XDH |
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-2023088987-A1 | PYRIDAZINE DERIVATIVES AS INHIBITORS OF NLRP3 | F. HOFFMANN-LA ROCHE AG (CH) | 2023-05-25 | — | — | WO | disclosed |