Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.68 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 9/20 | 0.48 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10029551 | 0.87 | HDAC1 (0.51) | ALDH1A1HDAC1HDAC8HDAC6PDE4B | |
| SCHEMBL12377852 | 0.83 | HDAC1 (0.51) | ALDH1A1HDAC1HDAC8HDAC6PDE4B | |
| SCHEMBL12377858 | 0.83 | HSD17B1 (0.48) | ALDH1A1HDAC1HDAC8HDAC6PDE4B | |
| SCHEMBL12377859 | 0.83 | HDAC1 (0.58) | ALDH1A1HDAC1HDAC8HDAC6PDE4B | |
| SCHEMBL28033118 | 0.81 | ALDH1A1 (0.71) | ALDH1A1HDAC1HDAC8HDAC6PDE4B | |
| SCHEMBL893099 | 0.81 | ALDH1A1 (1.00) | ALDH1A1HDAC1HDAC8HDAC6PDE4B | |
| SCHEMBL12377853 | 0.80 | HDAC1 (0.54) | ALDH1A1HDAC1HDAC8HDAC6PDE4B | |
| SCHEMBL29502534 | 0.78 | IRAK4 (0.62) | ALDH1A1 | |
| SCHEMBL16896536 | 0.78 | IRAK4 (0.62) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL16896632 | 0.77 | IRAK4 (0.62) | ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103380130-B | Novel pyrazole and imidazole derivatives useful as orexin antagonists | ACTELION PHARMACEUTICALS LTD | 2015-06-17 | — | — | CN | disclosed |
| EP-2649068-A1 | OXAZOLYL-METHYLETHER DERIVATIVES AS ALX RECEPTOR AGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012077049-A1 | OXAZOLYL-METHYLETHER DERIVATIVES AS ALX RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-14 | — | — | WO | disclosed |