Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 4/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL15132859 | 0.75 | ALDH1A1 (0.42) | ALDH1A1GAAMAPTHSD17B10SLC6A2 | |
| SCHEMBL24316223 | 0.72 | AR (0.43) | ALDH1A1GAAMAPTHSD17B10SLC6A2 | |
| SCHEMBL28460275 | 0.71 | SMN1; SMN2 (0.37) | ALDH1A1GAAMAPTHSD17B10SLC6A2 | |
| SCHEMBL19644387 | 0.70 | PTPN7 (0.40) | ALDH1A1GAAMAPTHSD17B10SLC6A2 | |
| SCHEMBL29641649 | 0.68 | SLC6A2 (0.55) | ALDH1A1GAAMAPTHSD17B10SLC6A2 | |
| SCHEMBL28612780 | 0.68 | SLC6A2 (0.55) | ALDH1A1GAAMAPTHSD17B10SLC6A2 | |
| SCHEMBL19643872 | 0.67 | SLC6A2 (0.38) | ALDH1A1GAAMAPTHSD17B10SLC6A2 | |
| SCHEMBL22253806 | 0.67 | ALDH1A1 (0.38) | ALDH1A1GAAMAPTHSD17B10SLC6A2 | |
| SCHEMBL5537547 | 0.66 | AR (0.40) | ALDH1A1GAAMAPTHSD17B10SLC6A2 | |
| SCHEMBL12413 | 0.65 | CA1 (0.45) | ALDH1A1GAAMAPTHSD17B10CHRNB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1558578-B1 | NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS | BOEHRINGER INGELHEIM PHARMA (DE) | 2013-03-13 | — | — | EP | disclosed |