Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 4/20 | 0.37 |
| ▸ | EGLN2 | Q96KS0 | 4/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.33 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8879327 | 0.83 | CYP2A6 (0.43) | CYP2A6ALDH1A1AREGLN2CYP11B1 | |
| SCHEMBL29814587 | 0.75 | CYP2A6 (0.52) | CYP2A6ALDH1A1AREGLN2CYP11B1 | |
| SCHEMBL1436903 | 0.75 | CYP2A6 (0.52) | CYP2A6ALDH1A1AREGLN2CYP11B1 | |
| SCHEMBL532567 | 0.74 | EGLN2 (0.48) | CYP2A6ALDH1A1AREGLN2HTR7 | |
| SCHEMBL2154193 | 0.73 | CYP11B2 (0.53) | CYP2A6ALDH1A1AREGLN2CYP11B1 | |
| SCHEMBL393190 | 0.71 | TSHR (0.50) | CYP2A6ALDH1A1AREGLN2CYP11B1 | |
| SCHEMBL410305 | 0.70 | AR (0.54) | CYP2A6ALDH1A1AREGLN2CYP11B1 | |
| SCHEMBL3237980 | 0.70 | CYP2A6 (0.46) | CYP2A6ALDH1A1AREGLN2CYP11B1 | |
| SCHEMBL10077715 | 0.70 | CYP2A6 (0.46) | CYP2A6ALDH1A1AREGLN2CYP11B1 | |
| SCHEMBL627108 | 0.70 | CYP3A4 (0.50) | CYP2A6ALDH1A1AREGLN2CYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024121184-A1 | INHIBITORS OF NLRP3 | F. HOFFMANN-LA ROCHE AG (CH) | 2024-06-13 | — | — | WO | disclosed |
| WO-2023088987-A1 | PYRIDAZINE DERIVATIVES AS INHIBITORS OF NLRP3 | F. HOFFMANN-LA ROCHE AG (CH) | 2023-05-25 | — | — | WO | disclosed |