Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.49 |
| ▸ | PKM | P14618 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 6/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1947210 | 0.83 | ALDH1A1 (0.44) | ALDH1A1HSD17B10L3MBTL1POLBPKM | |
| SCHEMBL1961909 | 0.77 | ALDH1A1 (0.45) | ALDH1A1HSD17B10L3MBTL1POLBPKM | |
| SCHEMBL1958324 | 0.73 | GAA (0.59) | ALDH1A1HSD17B10L3MBTL1POLBPKM | |
| SCHEMBL11285331 | 0.71 | ALDH1A1 (0.48) | ALDH1A1HSD17B10L3MBTL1POLBPKM | |
| SCHEMBL1959860 | 0.70 | ALDH1A1 (0.41) | ALDH1A1HSD17B10L3MBTL1POLBPKM | |
| SCHEMBL6510029 | 0.68 | ALDH1A1 (0.46) | ALDH1A1HSD17B10MAPK1USP2RXFP1 | |
| SCHEMBL9420341 | 0.68 | ALDH1A1 (0.51) | ALDH1A1HSD17B10L3MBTL1POLBPKM | |
| SCHEMBL19788134 | 0.68 | ALDH1A1 (0.51) | ALDH1A1HSD17B10L3MBTL1POLBPKM | |
| SCHEMBL1946807 | 0.67 | MEN1 (0.56) | ALDH1A1L3MBTL1POLBPKMKDM4E | |
| SCHEMBL14936068 | 0.67 | ALDH1A1 (0.50) | ALDH1A1HSD17B10L3MBTL1POLBPKM |
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-2332541-A1 | Use of thioxanthine derivatives as MPO inhibitors | AstraZeneca AB (SE) | 2011-06-15 | — | — | EP | disclosed |