Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.36 |
| ▸ | CA2 | P00918 | 5/20 | 0.36 |
| ▸ | CA9 | Q16790 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22716163 | 1.00 | CA1 (0.36) | CA1CA2CA9ALDH1A1GAA | |
| SCHEMBL25516056 | 0.88 | ALDH1A1 (0.35) | CA1CA2CA9ALDH1A1GAA | |
| SCHEMBL29354307 | 0.81 | ALDH1A1 (0.36) | CA1CA2CA9ALDH1A1GAA | |
| SCHEMBL3487390 | 0.81 | ALDH1A1 (0.36) | CA1CA2CA9ALDH1A1GAA | |
| SCHEMBL22716205 | 0.78 | KDM4E (0.33) | ALDH1A1MAPTLMNAPIK3CDPIK3CA | |
| SCHEMBL31539762 | 0.78 | POLB (0.33) | CA1CA2CA9ALDH1A1LMNA | |
| SCHEMBL30550979 | 0.74 | HTT (0.36) | ALDH1A1KMT2AHTTMEN1TDP1 | |
| SCHEMBL15335154 | 0.74 | HTT (0.36) | ALDH1A1KMT2AHTTMEN1TDP1 | |
| SCHEMBL11800359 | 0.74 | HTT (0.33) | PIK3CDKMT2AHTT | |
| SCHEMBL16856866 | 0.73 | MEN1 (0.37) | ALDH1A1LMNAPIK3CDPIK3CAPIK3CB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3976597-A1 | SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE | Janssen Pharmaceutica NV (BE) | 2022-04-06 | — | — | EP | disclosed |