Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.35 |
| ▸ | KLKB1 | P03952 | 3/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | PLAA | Q9Y263 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALPL | P05186 | 2/20 | 0.34 |
| ▸ | ALPG | P10696 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ALPI | P09923 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10801047 | 0.76 | TRPA1 (0.38) | TRPA1CYP3A4GPR52PTPN1PTPN6 | |
| SCHEMBL10803043 | 0.76 | TRPA1 (0.38) | TRPA1CYP3A4GPR52PTPN1PTPN6 | |
| SCHEMBL11269363 | 0.74 | IDO1 (0.46) | SMN1; SMN2POLBALDH1A1TSHR | |
| SCHEMBL1155881 | 0.72 | ALDH1A1 (0.42) | CYP2D6ADRB3SLC6A4KDM4EPOLB | |
| SCHEMBL11964124 | 0.71 | LMNA (0.38) | SMN1; SMN2CYP2D6ADRB3SLC6A4KDM4E | |
| SCHEMBL17077928 | 0.66 | — | — | |
| SCHEMBL15988633 | 0.66 | TRPA1 (0.69) | TRPA1CYP3A4GPR52PTPN1PTPN6 | |
| SCHEMBL18934385 | 0.65 | CDA (0.36) | CYP2D6ADRB3SLC6A4KDM4ETSHR | |
| SCHEMBL19813954 | 0.65 | TRPA1 (0.40) | TRPA1CYP3A4GPR52KLKB1PTPN1 | |
| SCHEMBL24843680 | 0.63 | ESR1 (0.51) | SMN1; SMN2POLBL3MBTL1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0044705-B1 | SUBSTITUTED PYRIMIDIN-2-ONES, THE SALTS THEREOF, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND A METHOD THEREFOR | GLAXO GROUP LIMITED (GB) | 1984-11-14 | — | — | EP | claimed |