Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KLK1 | P06870 | 1/20 | 0.39 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | IGF1R | P08069 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9460657 | 0.90 | ALDH1A1 (0.44) | ALDH1A1KLK1KLK5L3MBTL1GLA | |
| SCHEMBL3568729 | 0.85 | KDM4E (0.50) | ALDH1A1ALOX15MAPTKDM4EHPGD | |
| SCHEMBL9206626 | 0.83 | ALDH1A1 (0.44) | ALDH1A1KLK1KLK5L3MBTL1GLA | |
| SCHEMBL34021 | 0.79 | BCHE (0.47) | ALDH1A1KLK1KLK5L3MBTL1GLA | |
| SCHEMBL9967744 | 0.79 | GABRA1 (0.59) | ALDH1A1L3MBTL1GLAALOX15MAPT | |
| SCHEMBL9201350 | 0.78 | KDM4E (0.50) | ALDH1A1ALOX15MAPTKDM4EHPGD | |
| SCHEMBL7208889 | 0.78 | ALDH1A1 (0.43) | ALDH1A1KLK1KLK5L3MBTL1GLA | |
| SCHEMBL9825698 | 0.78 | ALDH1A1 (0.52) | ALDH1A1KLK1KLK5L3MBTL1GLA | |
| SCHEMBL674008 | 0.78 | ALDH1A1 (0.52) | ALDH1A1KLK1KLK5L3MBTL1GLA | |
| SCHEMBL18606582 | 0.76 | L3MBTL1 (0.43) | ALDH1A1KLK1KLK5L3MBTL1GLA |
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 |
|---|---|---|---|---|---|---|---|
| US-6528686-B1 | Reacting primary amine and ketone functionalized derivatives; catalytically reducing | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2003-03-04 | — | — | US | disclosed |