Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.36 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 3/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13664736 | 0.80 | HTR2A (0.43) | ALDH1A1SLC6A2SLC6A4SLC6A3ADAM17 | |
| SCHEMBL29497346 | 0.73 | HTR2A (0.42) | SLC6A2SLC6A4SLC6A3ADAM17ADAMTS5 | |
| SCHEMBL17185831 | 0.71 | MAPK1 (0.45) | ALDH1A1TSHRHTR2AHTR2CHTR2B | |
| SCHEMBL13664704 | 0.71 | SLC6A2 (0.32) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL18418699 | 0.69 | MAPK1 (0.40) | ALDH1A1SLC6A2SLC6A4SLC6A3ADAM17 | |
| Hydrochloric Acid SCHEMBL17185828 | 0.68 | MAPK1 (0.40) | ALDH1A1SLC6A2SLC6A4SLC6A3ADAM17 | |
| SCHEMBL17197216 | 0.67 | ALDH1A1 (0.40) | ALDH1A1ADAM17ADAMTS5TSHRHTR2A | |
| SCHEMBL17197179 | 0.67 | MAPK1 (0.40) | ALDH1A1ADAM17ADAMTS5HTTTSHR | |
| SCHEMBL3887062 | 0.66 | HTT (0.51) | ALDH1A1GAAHTTTSHR | |
| SCHEMBL3884420 | 0.65 | HTT (0.66) | ALDH1A1GAAHTTTSHRSMN1; SMN2 |
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-2009119528-A1 | HETEROCYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2009-10-01 | — | — | WO | disclosed |