Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.52 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.48 |
| ▸ | LNPEP | Q9UIQ6 | 2/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.47 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.47 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.47 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.47 |
| ▸ | S1PR5 | Q9H228 | 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 | |
|---|---|---|---|---|
| SCHEMBL13664694 | 0.92 | CYP3A4 (0.56) | CHEK1CYP3A4SPHK1SPHK2SMN1; SMN2 | |
| SCHEMBL27212687 | 0.90 | KCNH2 (0.58) | CHEK1SPHK1SPHK2AAK1ERAP2 | |
| Hydrochloric Acid SCHEMBL29386249 | 0.89 | KCNH2 (0.58) | CHEK1SPHK1SPHK2AAK1ERAP2 | |
| SCHEMBL21670265 | 0.83 | LMNA (0.66) | CYP3A4SMN1; SMN2EPHX1EPHX2 | |
| SCHEMBL19927609 | 0.83 | SMN1; SMN2 (0.51) | CHEK1CYP3A4SMN1; SMN2EPHX1EPHX2 | |
| SCHEMBL19927606 | 0.83 | SMN1; SMN2 (0.51) | CHEK1CYP3A4SMN1; SMN2EPHX1EPHX2 | |
| SCHEMBL7671961 | 0.82 | SLC15A1 (0.51) | CHEK1CYP3A4SPHK1SPHK2SMN1; SMN2 | |
| SCHEMBL7674439 | 0.82 | SLC15A1 (0.51) | CHEK1CYP3A4SPHK1SPHK2SMN1; SMN2 | |
| SCHEMBL7674443 | 0.82 | SLC15A1 (0.51) | CHEK1CYP3A4SPHK1SPHK2SMN1; SMN2 | |
| SCHEMBL27212671 | 0.81 | KCNH2 (0.67) | CHEK1CYP3A4SPHK1SPHK2SMN1; 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 |