Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL16277267 | 0.89 | NFE2L2 (0.68) | HCAR2KEAP1NFE2L2ALDH1A1KDM4E | |
| SCHEMBL5222112 | 0.89 | NFE2L2 (0.68) | HCAR2KEAP1NFE2L2ALDH1A1KDM4E | |
| SCHEMBL28977419 | 0.89 | HCAR2 (0.56) | HCAR2KEAP1NFE2L2ALDH1A1KDM4E | |
| SCHEMBL12609248 | 0.85 | — | — | |
| SCHEMBL12651643 | 0.85 | — | — | |
| SCHEMBL7031398 | 0.85 | — | — | |
| SCHEMBL14240081 | 0.84 | HCAR2 (0.36) | HCAR2KEAP1NFE2L2ALDH1A1KDM4E | |
| SCHEMBL7070305 | 0.83 | HCAR2 (0.39) | HCAR2KEAP1NFE2L2ALDH1A1KDM4E | |
| SCHEMBL7070307 | 0.83 | HCAR2 (0.39) | HCAR2KEAP1NFE2L2ALDH1A1KDM4E | |
| SCHEMBL15835920 | 0.83 | HCAR2 (0.35) | HCAR2KEAP1NFE2L2ALDH1A1KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040014652-A1 | Tumor activated prodrug compounds and methods of making and using the same | DIATOS SA (FR) | 2004-01-22 | — | — | US | disclosed |
| EP-1286700-A2 | TUMOR ACTIVATED PRODRUG COMPOUNDS | UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001091798-A2 | TUMOR ACTIVATED PRODRUG COMPOUNDS | UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) | 2001-12-06 | — | — | WO | disclosed |