Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGER | Q15109 | 3/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 11/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 9/20 | 0.38 |
| ▸ | CASP1 | P29466 | 7/20 | 0.38 |
| ▸ | CASP7 | P55210 | 7/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 6/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.38 |
| ▸ | USP2 | O75604 | 5/20 | 0.38 |
| ▸ | GLA | P06280 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11923269 | 0.85 | AGER (0.43) | AGERMTNR1AALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL8266042 | 0.84 | ALDH1A1 (0.39) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL8267483 | 0.84 | AGER (0.45) | AGERMTNR1AALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL2957909 | 0.84 | ALDH1A1 (0.43) | AGERMTNR1AALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL11923234 | 0.81 | ALDH1A1 (0.44) | AGERMTNR1AALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL8265879 | 0.80 | TACR1 (0.41) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL8267741 | 0.79 | PTPN11 (0.30) | PTPN11 | |
| SCHEMBL8267713 | 0.78 | KMT2A (0.41) | ALDH1A1CYP1A2CASP1CASP7HIF1A | |
| SCHEMBL11923255 | 0.77 | AGER (0.48) | AGERMTNR1AALDH1A1PTPN11TSHR | |
| SCHEMBL11923251 | 0.77 | ALDH1A1 (0.44) | AGERMTNR1AALDH1A1CYP1A2HSD17B10 |
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 |