Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.69 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.69 |
| ▸ | ERCC5 | P28715 | 2/20 | 0.61 |
| ▸ | FEN1 | P39748 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | CASP1 | P29466 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1691536 | 0.82 | ALDH1A1 (1.00) | ALDH1A1MAPK1HIF1AERCC5FEN1 | |
| SCHEMBL5253911 | 0.82 | ALDH1A1 (0.71) | ALDH1A1MAPK1HIF1AERCC5FEN1 | |
| SCHEMBL5253915 | 0.82 | ALDH1A1 (0.71) | ALDH1A1MAPK1HIF1AERCC5FEN1 | |
| SCHEMBL29481555 | 0.82 | ALDH1A1 (1.00) | ALDH1A1MAPK1HIF1AERCC5FEN1 | |
| SCHEMBL641759 | 0.80 | ALDH1A1 (0.69) | ALDH1A1MAPK1HIF1AERCC5FEN1 | |
| SCHEMBL30839507 | 0.80 | ALDH1A1 (0.69) | ALDH1A1MAPK1HIF1AERCC5FEN1 | |
| SCHEMBL29712843 | 0.80 | ALDH1A1 (0.69) | ALDH1A1MAPK1HIF1AERCC5FEN1 | |
| SCHEMBL435407 | 0.80 | ALDH1A1 (0.69) | ALDH1A1MAPK1HIF1AERCC5FEN1 | |
| SCHEMBL14325064 | 0.80 | ALDH1A1 (0.69) | ALDH1A1MAPK1HIF1AERCC5FEN1 | |
| SCHEMBL29859075 | 0.80 | ALDH1A1 (0.69) | ALDH1A1MAPK1HIF1AERCC5FEN1 |
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-1996550-A2 | CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES | Novartis AG (CH) | 2008-12-03 | — | — | EP | disclosed |
| WO-2007038459-A2 | CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES | NOVARTIS AG (CH) | 2007-04-05 | — | — | WO | disclosed |