Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH3A1 | P30838 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | ALDH2 | P05091 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.40 |
| ▸ | MYC | P01106 | 1/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.37 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.37 |
| ▸ | S100A4 | P26447 | 1/20 | 0.37 |
| ▸ | SDCBP | O00560 | 1/20 | 0.37 |
| ▸ | SDC2 | P34741 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9105740 | 0.83 | ALDH1A1 (0.46) | ALDH3A1ALDH1A1ALDH2 | |
| SCHEMBL281661 | 0.83 | ALDH3A1 (0.48) | ALDH3A1ALDH1A1ALDH2KDM4EAGTR1 | |
| SCHEMBL11192451 | 0.83 | ALDH3A1 (0.49) | ALDH3A1ALDH1A1ALDH2AGTR1S100A4 | |
| SCHEMBL2833377 | 0.82 | CASP3 (0.54) | ALDH1A1KDM4EGAACASP1CASP7 | |
| SCHEMBL18954664 | 0.82 | KDM4E (0.46) | ALDH1A1KDM4EGAACASP1CASP7 | |
| SCHEMBL2482727 | 0.82 | ALDH3A1 (0.44) | ALDH3A1ALDH1A1ALDH2AGTR1MYC | |
| SCHEMBL18954629 | 0.80 | KDM4E (0.44) | ALDH1A1KDM4EGAACASP1CASP7 | |
| SCHEMBL18954671 | 0.79 | KDM4E (0.43) | ALDH1A1KDM4EGAACASP1CASP7 | |
| SCHEMBL18954672 | 0.79 | KDM4E (0.43) | ALDH1A1KDM4EGAACASP1CASP7 | |
| SCHEMBL18955246 | 0.79 | CA1 (0.49) | KDM4EGAACASP1CASP7KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1891075-B1 | TRICYCLIC SPIRO DERIVATIVES AS CRTH2 MODULATORS | MERCK SERONO SA (CH) | 2011-10-19 | — | — | EP | disclosed |