Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.42 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.42 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.40 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | RAF1 | P04049 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
| ▸ | NOS2 | P35228 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28534069 | 0.90 | ALDH1A1 (0.52) | ALDH1A1HSD17B10SLC18A3S1PR1S1PR5 | |
| SCHEMBL27649734 | 0.83 | S1PR1 (0.49) | ALDH1A1SLC18A3S1PR1S1PR5DGAT1 | |
| SCHEMBL28827431 | 0.82 | ALDH1A1 (0.47) | ALDH1A1HSD17B10SLC18A3DGAT1CYP3A4 | |
| Hydrogen Sulfide SCHEMBL27619443 | 0.81 | S1PR1 (0.48) | ALDH1A1SLC18A3S1PR1S1PR5DGAT1 | |
| SCHEMBL24096570 | 0.80 | SLC18A3 (0.55) | ALDH1A1SLC18A3DGAT1TDP1NOS3 | |
| SCHEMBL112829 | 0.80 | SLC18A3 (0.55) | ALDH1A1SLC18A3DGAT1TDP1NOS3 | |
| SCHEMBL21449754 | 0.80 | SLC18A3 (0.55) | ALDH1A1SLC18A3DGAT1TDP1NOS3 | |
| SCHEMBL22291709 | 0.80 | SLC18A3 (0.55) | ALDH1A1SLC18A3DGAT1TDP1NOS3 | |
| SCHEMBL23192020 | 0.80 | SLC18A3 (0.55) | ALDH1A1SLC18A3DGAT1TDP1NOS3 | |
| SCHEMBL7301118 | 0.80 | SLC18A3 (0.55) | ALDH1A1SLC18A3DGAT1TDP1NOS3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0006218-B1 | SUBSTITUTED AMINO ACIDS, THEIR USE AND PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1982-05-26 | — | — | EP | disclosed |
| EP-0006218-A1 | Substituted amino acids, their use and preparation and pharmaceutical compositions containing them | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1980-01-09 | — | — | EP | disclosed |