Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | LSS | P48449 | 3/20 | 0.41 |
| ▸ | PARG | Q86W56 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5741867 | 0.91 | LMNA (0.51) | PAX8LMNANPSR1HTTALDH1A1 | |
| SCHEMBL5741293 | 0.90 | MEN1 (0.42) | MEN1KMT2ALMNANPSR1HTT | |
| SCHEMBL5740080 | 0.90 | MEN1 (0.51) | MEN1KMT2APAX8LMNANPSR1 | |
| SCHEMBL5741966 | 0.89 | LMNA (0.47) | KMT2ALMNAALDH1A1ALOX12MAPK1 | |
| SCHEMBL5741259 | 0.86 | KMT2A (0.48) | MEN1KMT2APAX8LMNANPSR1 | |
| SCHEMBL15457119 | 0.84 | ALDH1A1 (0.53) | MEN1KMT2ALMNANPSR1HTT | |
| SCHEMBL5740010 | 0.83 | MEN1 (0.47) | MEN1KMT2ALMNANPSR1HTT | |
| SCHEMBL5741940 | 0.81 | LMNA (0.50) | MEN1KMT2APAX8LMNANPSR1 | |
| SCHEMBL5741317 | 0.80 | KMT2A (0.53) | MEN1KMT2APAX8LMNANPSR1 | |
| SCHEMBL5739813 | 0.80 | ALDH1A1 (0.43) | MEN1KMT2ALMNANPSR1HTT |
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 |