Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 2/20 | 0.32 |
| ▸ | CA5A | P35218 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 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 | |
|---|---|---|---|---|
| SCHEMBL14308115 | 0.82 | ALDH1A1 (0.44) | ALDH1A1KEAP1L3MBTL1CA6CA5A | |
| SCHEMBL13772724 | 0.74 | TDP1 (0.54) | ALDH1A1L3MBTL1HTTBACE1CA1 | |
| SCHEMBL2688432 | 0.74 | ACHE (0.36) | ALDH1A1CA6CA5ACA9CA14 | |
| SCHEMBL14566097 | 0.71 | ALDH1A1 (0.42) | ALDH1A1CA6CA5ACA9CA14 | |
| SCHEMBL14500180 | 0.70 | KDM4E (0.44) | CA9CA14HTTCA12CA1 | |
| SCHEMBL29476041 | 0.69 | — | — | |
| SCHEMBL103128 | 0.69 | — | — | |
| SCHEMBL102467 | 0.69 | — | — | |
| SCHEMBL79046 | 0.69 | — | — | |
| SCHEMBL29722285 | 0.69 | — | — |
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-2007084415-A2 | COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | SCHERING CORPORATION (US) | 2007-07-26 | — | — | WO | disclosed |