Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.56 |
| ▸ | CA1 | P00915 | 5/20 | 0.56 |
| ▸ | CA9 | Q16790 | 5/20 | 0.56 |
| ▸ | CA5A | P35218 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 4/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.40 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29253953 | 0.87 | CA2 (0.58) | CA2CA1CA9CA5AGAA | |
| SCHEMBL21962935 | 0.86 | CA2 (0.54) | CA2CA1CA9CA5AGAA | |
| SCHEMBL28483919 | 0.84 | CA2 (0.55) | CA2CA1CA9CA5AGAA | |
| SCHEMBL30925089 | 0.83 | CA2 (0.51) | CA2CA1CA9CA5AGAA | |
| SCHEMBL7933510 | 0.82 | CA2 (0.52) | CA2CA1CA9CA5AGAA | |
| SCHEMBL31357368 | 0.82 | CA2 (0.52) | CA2CA1CA9CA5AGAA | |
| SCHEMBL7735941 | 0.82 | CA1 (0.39) | CA2CA1CA9CA5AGAA | |
| SCHEMBL5412365 | 0.82 | CA2 (0.52) | CA2CA1CA9CA5AGAA | |
| SCHEMBL21962894 | 0.80 | CA2 (0.61) | CA2CA1CA9CA5AGAA | |
| SCHEMBL7727266 | 0.80 | CA2 (0.50) | CA2CA1CA9CA5AGAA |
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-2020102100-A9 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS AG (CH) | 2022-01-06 | — | — | WO | disclosed |
| WO-2020102100-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |