Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | RAF1 | P04049 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28438966 | 0.87 | PDK1 (0.58) | CA2CA9MEN1MAPTRAB9A | |
| SCHEMBL28302624 | 0.87 | PDK1 (0.58) | CA2CA9MEN1MAPTRAB9A | |
| SCHEMBL30340914 | 0.86 | ALDH1A1 (0.58) | SMN1; SMN2EPHX1EPHX2ALDH1A1THRB | |
| SCHEMBL26503173 | 0.86 | ALDH1A1 (0.58) | SMN1; SMN2EPHX1EPHX2ALDH1A1THRB | |
| SCHEMBL13664903 | 0.86 | ALDH1A1 (0.58) | SMN1; SMN2EPHX1EPHX2ALDH1A1THRB | |
| SCHEMBL16303890 | 0.82 | EPHX1 (0.58) | EPHX1EPHX2ALDH1A1POLBCYP3A4 | |
| SCHEMBL13664813 | 0.81 | SMN1; SMN2 (0.69) | SMN1; SMN2POLBCA2CA4CA9 | |
| SCHEMBL30135221 | 0.80 | MEN1 (0.50) | SMN1; SMN2ALDH1A1POLBS1PR3MEN1 | |
| SCHEMBL13664730 | 0.79 | HDAC4 (0.54) | SMN1; SMN2POLBCA2CA4CA9 | |
| SCHEMBL30135201 | 0.78 | CTSS (0.42) | ALDH1A1CA2CA4CA9EGFR |
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 |