Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | PARG | Q86W56 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL5740010 | 0.92 | MEN1 (0.47) | ALDH1A1MEN1KMT2ALMNANPSR1 | |
| SCHEMBL5741293 | 0.90 | MEN1 (0.42) | ALDH1A1MEN1KMT2ALMNANPSR1 | |
| SCHEMBL5742717 | 0.89 | LMNA (0.46) | ALDH1A1KMT2ALMNAGAARAB9A | |
| SCHEMBL5741940 | 0.88 | LMNA (0.50) | ALDH1A1MEN1KMT2ALMNANPSR1 | |
| SCHEMBL5741317 | 0.87 | KMT2A (0.53) | ALDH1A1MEN1KMT2ALMNANPSR1 | |
| SCHEMBL5739916 | 0.87 | ALDH1A1 (0.47) | ALDH1A1MEN1KMT2ALMNANPSR1 | |
| SCHEMBL5740080 | 0.87 | MEN1 (0.51) | ALDH1A1MEN1KMT2ALMNANPSR1 | |
| SCHEMBL5741173 | 0.85 | POLB (0.46) | ALDH1A1MEN1KMT2ALMNAGAA | |
| SCHEMBL5741867 | 0.81 | LMNA (0.51) | ALDH1A1LMNANPSR1GAARAB9A | |
| SCHEMBL15457138 | 0.80 | LMNA (0.50) | ALDH1A1LMNANPSR1GAAADORA2B |
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 |