Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NSD2 | O96028 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5741259 | 0.91 | KMT2A (0.48) | ALDH1A1NSD2GAALMNANPSR1 | |
| SCHEMBL5740010 | 0.89 | MEN1 (0.47) | ALDH1A1RAB9ANSD2MAPTGAA | |
| SCHEMBL5739813 | 0.87 | ALDH1A1 (0.43) | ALDH1A1RAB9ANSD2MAPTGAA | |
| SCHEMBL5741293 | 0.86 | MEN1 (0.42) | ALDH1A1RAB9ANSD2MAPTGAA | |
| SCHEMBL5741940 | 0.84 | LMNA (0.50) | ALDH1A1RAB9AGAALMNANPSR1 | |
| SCHEMBL5741317 | 0.84 | KMT2A (0.53) | ALDH1A1GAALMNANPSR1KMT2A | |
| SCHEMBL5740080 | 0.84 | MEN1 (0.51) | ALDH1A1GAALMNANPSR1L3MBTL1 | |
| SCHEMBL5741173 | 0.82 | POLB (0.46) | ALDH1A1RAB9ANSD2MAPTGAA | |
| SCHEMBL3820231 | 0.81 | ALDH1A1 (0.40) | ALDH1A1RAB9ANSD2GAALMNA | |
| SCHEMBL5741867 | 0.78 | LMNA (0.51) | ALDH1A1RAB9AGAALMNANPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1646615-A1 | PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2006-04-19 | — | — | EP | disclosed |
| WO-2004111014-A1 | PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-12-23 | — | — | WO | disclosed |