Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.35 |
| ▸ | CASP1 | P29466 | 3/20 | 0.35 |
| ▸ | CASP7 | P55210 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8267763 | 0.87 | CYP1A2 (0.37) | CYP1A2ALDH1A1HSD17B10CASP1CASP7 | |
| SCHEMBL8266042 | 0.82 | ALDH1A1 (0.39) | CYP1A2ALDH1A1HSD17B10CASP1CASP7 | |
| SCHEMBL11923308 | 0.79 | TACR1 (0.46) | CYP1A2ALDH1A1HSD17B10CASP1CASP7 | |
| SCHEMBL8267645 | 0.78 | HSD11B1 (0.32) | CYP1A2ALDH1A1HSD17B10CASP1CASP7 | |
| SCHEMBL8267721 | 0.77 | PIK3R1 (0.35) | CYP1A2ALDH1A1HSD17B10CASP1CASP7 | |
| SCHEMBL8267716 | 0.76 | AGER (0.40) | CYP1A2ALDH1A1HSD17B10CASP1CASP7 | |
| SCHEMBL8267735 | 0.73 | POLB (0.36) | CASP1HSP90AA1 | |
| SCHEMBL8268297 | 0.72 | THRB (0.45) | CYP1A2ALDH1A1HSD17B10CASP1CASP7 | |
| SCHEMBL8268303 | 0.72 | PTPN11 (0.40) | HSD17B10TACR1PTPN11PIK3CA | |
| SCHEMBL8265891 | 0.72 | CYP1A2 (0.38) | CYP1A2ALDH1A1HSD17B10CASP1CASP7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006050476-A2 | PYRIMIDINE DERIVATIVES AS ION CHANNEL MODULATORS AND METHODS OF USE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-05-11 | — | — | WO | disclosed |