Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.50 |
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA9 | Q16790 | 4/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL21962894 | 0.88 | CA2 (0.61) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL1369472 | 0.83 | NR4A2 (0.48) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL17078010 | 0.81 | NR4A2 (0.47) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL17494875 | 0.80 | SMN1; SMN2 (0.46) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL1368657 | 0.79 | KDM4E (0.45) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL19202355 | 0.78 | CA2 (0.61) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL29295507 | 0.78 | NR4A2 (0.43) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL3839211 | 0.77 | NR4A2 (0.54) | CA2CA1CA9CA12CA7 | |
| SCHEMBL22010626 | 0.76 | CA2 (0.44) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL21962927 | 0.76 | CA1 (0.42) | CA2CA1CA9CA5ACA12 |
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 |