Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | DGKZ | Q13574 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.38 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | GPR183 | P32249 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20804028 | 0.88 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2HTTMAPK1GAA | |
| SCHEMBL20804105 | 0.86 | CYP2D6 (0.46) | ALDH1A1SMN1; SMN2HTTHRH3 | |
| SCHEMBL20804089 | 0.84 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2HTTMAPK1GAA | |
| SCHEMBL20804015 | 0.80 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2HTTMAPK1GAA | |
| SCHEMBL545015 | 0.78 | KCNH2 (0.41) | TLR8TLR7HRH3KCNH2MCHR1 | |
| SCHEMBL12665901 | 0.78 | ALDH1A1 (0.47) | ALDH1A1HTTTLR8TLR7HRH3 | |
| SCHEMBL20484955 | 0.78 | HIF1A (0.44) | TLR8TLR7FAAHHRH3KCNH2 | |
| SCHEMBL20804013 | 0.77 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2HTTMAPK1GAA | |
| SCHEMBL17306467 | 0.75 | L3MBTL1 (0.42) | ALDH1A1SMN1; SMN2MAPK1GAAMAPT | |
| SCHEMBL4547887 | 0.75 | HRH3 (0.65) | ALDH1A1SMN1; SMN2HTTMAPK1GAA |
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-2023121207-A1 | PHARMACEUTICAL COMPOSITION, WHICH INHIBITS AAK1, FOR PREVENTING OR TREATING VIRAL DISEASES OR BRAIN DISEASES | 재단법인 대구경북첨단의료산업진흥재단 | 2023-06-29 | — | — | WO | disclosed |