Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PSMD10 | O75832 | 1/20 | 0.40 |
| ▸ | CYP24A1 | Q07973 | 2/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | G6PD | P11413 | 1/20 | 0.39 |
| ▸ | VDR | P11473 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28912198 | 0.95 | ALDH1A1 (0.41) | ALDH1A1CYP3A4CYP2C19CYP2C9CA12 | |
| SCHEMBL22326291 | 0.91 | ALDH1A1 (0.42) | ALDH1A1CYP3A4CYP2C19CYP2C9CA12 | |
| SCHEMBL6002078 | 0.90 | ALDH1A1 (0.43) | ALDH1A1CYP3A4CYP2C19CYP2C9CA12 | |
| SCHEMBL16382424 | 0.87 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C19CYP2C9CA12 | |
| SCHEMBL15270828 | 0.87 | CA12 (0.40) | ALDH1A1CYP3A4CYP2C19CYP2C9CA12 | |
| SCHEMBL483847 | 0.86 | ALDH1A1 (0.50) | ALDH1A1CYP3A4CYP2C19CYP2C9CA12 | |
| SCHEMBL890725 | 0.86 | ALDH1A1 (0.50) | ALDH1A1CYP3A4CYP2C19CYP2C9CA12 | |
| SCHEMBL283084 | 0.85 | ALDH1A1 (0.41) | ALDH1A1CYP3A4CYP2C19CYP2C9CA12 | |
| SCHEMBL13886464 | 0.85 | ALDH1A1 (0.41) | ALDH1A1CYP3A4CYP2C19CYP2C9CA12 | |
| SCHEMBL4815560 | 0.84 | ALDH1A1 (0.48) | ALDH1A1CYP3A4CYP2C19CYP2C9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-9695154-B2 | Heteroaryl inhibitors of sumo activating enzyme | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-07-04 | — | — | US | disclosed |