Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 2/20 | 0.50 |
| ▸ | SLC6A7 | Q99884 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MGLL | Q99685 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KDM6B | O15054 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3156444 | 0.96 | GBA1 (0.46) | GBA1SLC6A7ALDH1A1USP2CASP1 | |
| SCHEMBL3171321 | 0.95 | GBA1 (0.54) | GBA1SLC6A7ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL3176917 | 0.95 | GBA1 (0.46) | GBA1SLC6A7ALDH1A1USP2CASP1 | |
| SCHEMBL3174398 | 0.93 | GBA1 (0.48) | GBA1SLC6A7ALDH1A1MGLLSLC6A3 | |
| SCHEMBL3164315 | 0.92 | GBA1 (0.50) | GBA1SLC6A7ALDH1A1MGLLUSP2 | |
| SCHEMBL3175804 | 0.92 | GBA1 (0.51) | GBA1SLC6A7ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL3155347 | 0.92 | GBA1 (0.49) | GBA1SLC6A7ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL3164890 | 0.91 | AKR1C3 (0.47) | GBA1SLC6A7ALDH1A1SLC6A3USP2 | |
| SCHEMBL3166309 | 0.91 | GBA1 (0.48) | GBA1SLC6A7ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL3155558 | 0.90 | SLC6A7 (0.47) | GBA1SLC6A7ALDH1A1MAPK1MGLL |
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-1465631-B1 | PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE | OSI PHARM INC (US) | 2010-02-24 | — | — | EP | disclosed |