Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27173079 | 0.96 | CA12 (0.46) | CA12CA1CA9ALDH1A1LMNA | |
| SCHEMBL28541140 | 0.89 | ALDH1A1 (0.43) | ALDH1A1LMNAMAPTMAPK1KDM4E | |
| SCHEMBL21219198 | 0.87 | ALDH1A1 (0.41) | ALDH1A1LMNAMAPTMAPK1KDM4E | |
| SCHEMBL3889830 | 0.86 | ALDH1A1 (0.44) | ALDH1A1LMNAMAPTMAPK1KDM4E | |
| SCHEMBL28631026 | 0.85 | ALDH1A1 (0.41) | ALDH1A1LMNAMAPTMAPK1KDM4E | |
| SCHEMBL21751770 | 0.85 | ALDH1A1 (0.41) | ALDH1A1LMNAMAPTMAPK1KDM4E | |
| SCHEMBL28427275 | 0.85 | ALDH1A1 (0.41) | CA1CA9ALDH1A1LMNAMAPT | |
| SCHEMBL22973084 | 0.85 | ALDH1A1 (0.41) | ALDH1A1LMNAMAPTMAPK1KDM4E | |
| SCHEMBL28351010 | 0.85 | ALDH1A1 (0.41) | ALDH1A1LMNAMAPTMAPK1KDM4E | |
| SCHEMBL28559501 | 0.85 | ALDH1A1 (0.41) | ALDH1A1LMNAMAPTMAPK1KDM4E |
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-2017042380-A1 | NOVEL 5-AMINO-2-THIOIMIDAZOLE COMPOUNDS AND THEIR USE | UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) | 2017-03-16 | — | — | WO | disclosed |