Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | GAA | P10253 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | PARP1 | P09874 | 4/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | GBA1 | P04062 | 2/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
| ▸ | HTR7 | P34969 | 1/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3816791 | 0.90 | KDM4E (0.75) | KDM4EMEN1KMT2AGAATSHR | |
| SCHEMBL5742141 | 0.87 | ALDH1A1 (0.51) | KDM4EMEN1KMT2AGAATSHR | |
| SCHEMBL5741067 | 0.86 | ALDH1A1 (0.57) | KDM4EMEN1KMT2AGAATSHR | |
| SCHEMBL5743239 | 0.80 | LMNA (0.55) | KMT2ANPSR1LMNAALDH1A1GBA1 | |
| SCHEMBL5742698 | 0.80 | PKM (0.47) | MEN1KMT2AGAATSHRMAPK1 | |
| SCHEMBL5741270 | 0.80 | LMNA (0.57) | MEN1KMT2ATSHRMAPK1LMNA | |
| SCHEMBL5742711 | 0.78 | PKM (0.50) | MEN1KMT2AGAATSHRMAPK1 | |
| SCHEMBL5740265 | 0.78 | LMNA (0.53) | KMT2ANPSR1LMNAALDH1A1GBA1 | |
| SCHEMBL5742866 | 0.78 | GBA1 (0.54) | KMT2AMAPK1NPSR1LMNAALDH1A1 | |
| SCHEMBL7029650 | 0.78 | LMNA (0.77) | MEN1KMT2ATSHRMAPK1LMNA |
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 |