Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14737591 | 0.91 | ALDH1A1 (0.43) | ALDH1A1GAAKDM4EHPGDS1PR1 | |
| SCHEMBL7716014 | 0.89 | ALDH1A1 (0.36) | ALDH1A1GAAKDM4EHPGD | |
| SCHEMBL7709653 | 0.85 | ALDH1A1 (0.34) | ALDH1A1GAAKDM4EHPGD | |
| SCHEMBL2590820 | 0.84 | ALDH1A1 (0.42) | ALDH1A1GAAKDM4EHPGDS1PR1 | |
| SCHEMBL7705939 | 0.84 | ALDH1A1 (0.40) | ALDH1A1GAAKDM4EHPGDS1PR1 | |
| SCHEMBL14737564 | 0.82 | ALDH1A1 (0.42) | ALDH1A1GAAKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL7712484 | 0.82 | ALDH1A1 (0.33) | ALDH1A1GAAKDM4EHPGD | |
| SCHEMBL14737261 | 0.81 | KDM4E (0.46) | ALDH1A1GAAKDM4EHPGD | |
| SCHEMBL2595105 | 0.81 | ALDH1A1 (0.42) | ALDH1A1GAAKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL14736856 | 0.80 | ALDH1A1 (0.43) | ALDH1A1GAAKDM4EHPGDS1PR1 |
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-2011134468-A1 | BIARYL PHOSPHODIESTERASE INHIBITORS | LEO PHARMA A/S (DK) | 2011-11-03 | — | — | WO | disclosed |