Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | PPIA | P62937 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.43 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8040256 | 1.00 | ALDH1A1 (0.48) | ALDH1A1POLBGAAHTTPPIA | |
| SCHEMBL8040252 | 0.94 | ALDH1A1 (0.41) | ALDH1A1POLBGAAHTTLMNA | |
| SCHEMBL8028305 | 0.83 | ALDH1A1 (0.51) | ALDH1A1POLBGAAHTTPPIA | |
| SCHEMBL8044925 | 0.83 | ALDH1A1 (0.51) | ALDH1A1POLBGAAHTTPPIA | |
| SCHEMBL8033842 | 0.81 | RAB9A (0.42) | ALDH1A1POLBRAB9AHPGDMAPT | |
| SCHEMBL8034159 | 0.81 | ALDH1A1 (0.44) | ALDH1A1GAAHTTL3MBTL1RAB9A | |
| SCHEMBL8041228 | 0.80 | SGMS2 (0.53) | ALDH1A1PPIAL3MBTL1RAB9ALMNA | |
| SCHEMBL8037438 | 0.80 | S1PR1 (0.45) | ALDH1A1GAALMNA | |
| SCHEMBL8033765 | 0.80 | CNR2 (0.43) | — | |
| SCHEMBL8038995 | 0.79 | ALDH1A1 (0.52) | ALDH1A1PPIAL3MBTL1RAB9ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009081892-A1 | NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2009-07-02 | — | — | WO | disclosed |