Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 7/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.36 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 4/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL966433 | 0.76 | MAPK1 (0.56) | MAPK1SMN1; SMN2PTPN11PTPN1CA2 | |
| SCHEMBL5026454 | 0.74 | PARP10 (0.34) | MAPK1SMN1; SMN2CYP3A4SLC6A3EPHX2 | |
| SCHEMBL28601844 | 0.73 | LOXL2 (0.41) | SMN1; SMN2 | |
| SCHEMBL31348907 | 0.72 | ALOX5 (0.44) | SMN1; SMN2CYP2D6 | |
| SCHEMBL7208755 | 0.72 | PTPN11 (0.61) | MAPK1SMN1; SMN2PTPN11PTPN1CA2 | |
| SCHEMBL1345154 | 0.72 | MAPK1 (0.58) | MAPK1SMN1; SMN2PTPN11PTPN1CA2 | |
| SCHEMBL1344975 | 0.72 | MAPK1 (0.58) | MAPK1SMN1; SMN2PTPN11PTPN1CA2 | |
| SCHEMBL29156721 | 0.71 | NPSR1 (0.47) | MAPK1CA2CA1 | |
| SCHEMBL3378865 | 0.70 | SMN1; SMN2 (0.60) | MAPK1SMN1; SMN2PTPN11PTPN1CA2 | |
| SCHEMBL8864779 | 0.69 | MAPK1 (0.51) | MAPK1SMN1; SMN2PTPN11PTPN1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106573899-B | Optionally fused, heterocyclyl-substituted pyrimidine derivatives for the treatment of inflammatory, metabolic, neoplastic and autoimmune diseases | 纽韦卢森公司 | 2021-04-06 | — | — | CN | disclosed |