Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.67 |
| ▸ | CIT | O14578 | 2/20 | 0.58 |
| ▸ | AAK1 | Q2M2I8 | 11/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL26503441 | 0.85 | SMN1; SMN2 (0.67) | SMN1; SMN2CYP3A4EPHX1EPHX2 | |
| SCHEMBL10790981 | 0.84 | AAK1 (0.51) | SMN1; SMN2CITAAK1 | |
| SCHEMBL13664694 | 0.82 | CYP3A4 (0.56) | SMN1; SMN2AAK1CYP3A4EPHX1EPHX2 | |
| Hydrochloric Acid SCHEMBL10799816 | 0.82 | AAK1 (0.50) | SMN1; SMN2CITAAK1 | |
| SCHEMBL13664811 | 0.80 | SMN1; SMN2 (0.57) | SMN1; SMN2CYP3A4EPHX1EPHX2 | |
| SCHEMBL13664812 | 0.80 | CHEK1 (0.62) | SMN1; SMN2AAK1CYP3A4EPHX1EPHX2 | |
| SCHEMBL28138529 | 0.79 | AAK1 (0.63) | CITAAK1 | |
| SCHEMBL28138531 | 0.79 | AAK1 (0.63) | CITAAK1 | |
| SCHEMBL11305719 | 0.79 | EPHX1 (0.63) | SMN1; SMN2CYP3A4EPHX1EPHX2 | |
| SCHEMBL11402078 | 0.79 | EPHX1 (0.63) | SMN1; SMN2CYP3A4EPHX1EPHX2 |
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 |