Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.35 |
| ▸ | CASP1 | P29466 | 8/20 | 0.35 |
| ▸ | CASP7 | P55210 | 8/20 | 0.35 |
| ▸ | USP2 | O75604 | 8/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 7/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | GLA | P06280 | 5/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11923175 | 0.83 | TACR1 (0.52) | TACR1ALDH1A1CYP3A4HSD17B10CYP1A2 | |
| SCHEMBL8267713 | 0.82 | KMT2A (0.41) | ALDH1A1CYP3A4CYP1A2CASP1CASP7 | |
| SCHEMBL8267716 | 0.80 | AGER (0.40) | ALDH1A1CYP3A4HSD17B10CYP1A2CASP1 | |
| SCHEMBL8265883 | 0.77 | TACR1 (0.54) | TACR1ALDH1A1CYP3A4HSD17B10CYP1A2 | |
| SCHEMBL8265839 | 0.76 | TACR1 (0.53) | TACR1ALDH1A1CYP3A4HSD17B10CYP1A2 | |
| SCHEMBL11923250 | 0.75 | TACR1 (0.58) | TACR1ALDH1A1CYP3A4HSD17B10CASP1 | |
| SCHEMBL8267741 | 0.75 | PTPN11 (0.30) | — | |
| SCHEMBL8267738 | 0.74 | TACR1 (0.53) | TACR1ALDH1A1CYP3A4HSD17B10CYP1A2 | |
| SCHEMBL8266035 | 0.74 | TACR1 (0.53) | TACR1ALDH1A1CYP3A4HSD17B10CYP1A2 | |
| SCHEMBL11923299 | 0.73 | TACR1 (0.41) | TACR1ALDH1A1CYP3A4HSD17B10CYP1A2 |
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 |