Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 2/20 | 0.37 |
| ▸ | ALB | P02768 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.35 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.34 |
| ▸ | GRK6 | P43250 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 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 | |
|---|---|---|---|---|
| SCHEMBL29541827 | 0.81 | BCAT1 (0.46) | EPHX2KDM4EALDH1A1GAASMN1; SMN2 | |
| SCHEMBL6817772 | 0.80 | CYP1A2 (0.47) | EPHX2KDM4EALDH1A1GAASMN1; SMN2 | |
| SCHEMBL29541546 | 0.80 | CYP1A2 (0.47) | EPHX2KDM4EALDH1A1GAASMN1; SMN2 | |
| SCHEMBL29091510 | 0.80 | EPHX2 (0.44) | EPHX2KDM4EALDH1A1GAASMN1; SMN2 | |
| SCHEMBL20034246 | 0.75 | ALB (0.50) | ALDH1A1ARALBERN1GRK6 | |
| SCHEMBL2415309 | 0.75 | EPHX2 (0.58) | EPHX2KDM4EALDH1A1GAASMN1; SMN2 | |
| SCHEMBL24977286 | 0.74 | EPHX2 (0.41) | EPHX2KDM4EALDH1A1GAASMN1; SMN2 | |
| SCHEMBL9680967 | 0.74 | NOTUM (0.42) | EPHX2KDM4EALDH1A1GAASMN1; SMN2 | |
| SCHEMBL10089388 | 0.73 | EPHX2 (0.38) | EPHX2KDM4EALDH1A1GAASMN1; SMN2 | |
| SCHEMBL10089357 | 0.72 | CYP1A2 (0.39) | EPHX2KDM4EALDH1A1GAASMN1; 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-2009119880-A1 | SUBSTITUTED PYRAZOLE DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-10-01 | — | — | WO | disclosed |