Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.51 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | APEX1 | P27695 | 1/20 | 0.49 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.47 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL13664812 | 0.92 | CHEK1 (0.62) | CYP3A4SMN1; SMN2EPHX1EPHX2CHEK1 | |
| SCHEMBL27212671 | 0.89 | KCNH2 (0.67) | CYP3A4KCNH2SMN1; SMN2CHEK1AAK1 | |
| Hydrochloric Acid SCHEMBL29386954 | 0.88 | KCNH2 (0.67) | CYP3A4KCNH2SMN1; SMN2CHEK1AAK1 | |
| SCHEMBL31734128 | 0.84 | HSD17B10 (0.61) | CYP3A4SMN1; SMN2EPHX1EPHX2APEX1 | |
| SCHEMBL29413992 | 0.84 | HSD17B10 (0.61) | CYP3A4SMN1; SMN2EPHX1EPHX2APEX1 | |
| SCHEMBL4747117 | 0.84 | HSD17B10 (0.61) | CYP3A4SMN1; SMN2EPHX1EPHX2APEX1 | |
| SCHEMBL13664732 | 0.82 | SMN1; SMN2 (0.67) | CYP3A4SMN1; SMN2EPHX1EPHX2AAK1 | |
| SCHEMBL27212687 | 0.81 | KCNH2 (0.58) | KCNH2CHEK1AAK1SPHK1SPHK2 | |
| Hydrochloric Acid SCHEMBL29386249 | 0.80 | KCNH2 (0.58) | KCNH2CHEK1AAK1SPHK1SPHK2 | |
| SCHEMBL19927609 | 0.80 | SMN1; SMN2 (0.51) | CYP3A4KCNH2SMN1; SMN2EPHX1EPHX2 |
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 |