Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | PTPN7 | P35236 | 2/20 | 0.41 |
| ▸ | DUSP3 | P51452 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8034162 | 0.95 | LRRK2 (0.38) | ALDH1A1GFERGAAHTTHPGD | |
| SCHEMBL8038341 | 0.83 | SMO (0.38) | ALDH1A1GAAHPGDLMNAMAPT | |
| SCHEMBL8040256 | 0.81 | ALDH1A1 (0.48) | ALDH1A1GAAHTTHPGDPTPN7 | |
| SCHEMBL8037831 | 0.81 | ALDH1A1 (0.48) | ALDH1A1GAAHTTHPGDPTPN7 | |
| SCHEMBL8031695 | 0.80 | ALDH1A1 (0.43) | ALDH1A1GFERGAAHTTHPGD | |
| SCHEMBL8031681 | 0.78 | LRRK2 (0.38) | ALDH1A1GAAHTTHPGDKDM4E | |
| SCHEMBL8032092 | 0.78 | ALDH1A1 (0.44) | ALDH1A1GFERGAAHTTHPGD | |
| SCHEMBL8033842 | 0.77 | RAB9A (0.42) | ALDH1A1HPGDMAPTRAB9AMEN1 | |
| SCHEMBL8032035 | 0.77 | APP (0.40) | ALDH1A1GAAHPGDLMNAMAPT | |
| SCHEMBL8035584 | 0.77 | LRRK2 (0.36) | ALDH1A1GAAHTTHPGDKDM4E |
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 |