Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | ELANE | P08246 | 2/20 | 0.32 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 4/20 | 0.31 |
| ▸ | GAA | P10253 | 3/20 | 0.31 |
| ▸ | GLA | P06280 | 2/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | STAT6 | P42226 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4737618 | 0.91 | CYP3A4 (0.36) | ALDH1A1CYP3A4CYP2C19KDM4EHSD17B10 | |
| SCHEMBL4735693 | 0.83 | CYP3A4 (0.37) | CYP3A4CYP2C19ELANEPRTN3SIRT2 | |
| SCHEMBL4737295 | 0.81 | ALDH1A1 (0.37) | ALDH1A1CYP3A4CYP2C19KDM4EHSD17B10 | |
| SCHEMBL4737293 | 0.81 | ALDH1A1 (0.37) | ALDH1A1CYP3A4CYP2C19KDM4EHSD17B10 | |
| SCHEMBL4737617 | 0.79 | TSHR (0.33) | ALDH1A1CYP2C19KMT2AMEN1TSHR | |
| SCHEMBL4739265 | 0.77 | — | — | |
| SCHEMBL4739250 | 0.70 | ALDH1A1 (0.43) | ALDH1A1KDM4EHSD17B10KMT2AL3MBTL1 | |
| SCHEMBL4739806 | 0.69 | HSP90AA1 (0.34) | ALDH1A1KDM4EHSD17B10KMT2AELANE | |
| SCHEMBL4738360 | 0.69 | — | — | |
| SCHEMBL5116642 | 0.68 | GAA (0.43) | ALDH1A1KDM4EHSD17B10KMT2AL3MBTL1 |
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-2008071765-A1 | PHARMACEUTICALLY ACTIVE SPIRO-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES | NYCOMED GMBH (DE) | 2008-06-19 | — | — | WO | disclosed |