Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 6/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | ACP3 | P15309 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | STK39 | Q9UEW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12477325 | 0.94 | CES2 (0.47) | PPARGCES2ACP3IDO1TDO2 | |
| SCHEMBL28332952 | 0.83 | SRC (0.48) | PPARGIDO1TDO2STK39ALDH1A1 | |
| SCHEMBL2687361 | 0.81 | RORB (0.39) | PPARGCES2STK39THRATHRB | |
| SCHEMBL18952889 | 0.78 | CES2 (0.57) | PPARGCES2ACP3IDO1TDO2 | |
| SCHEMBL28436668 | 0.77 | MEN1 (0.40) | ACP3MEN1KMT2A | |
| SCHEMBL28341288 | 0.77 | PPARG (0.54) | PPARGCES2ACP3LMNAPNMT | |
| SCHEMBL1273899 | 0.77 | SRC (0.42) | PPARGIDO1TDO2STK39ALDH1A1 | |
| SCHEMBL15019335 | 0.77 | CES2 (0.55) | PPARGCES2ACP3IDO1TDO2 | |
| SCHEMBL15019153 | 0.77 | CES2 (0.55) | PPARGCES2ACP3IDO1TDO2 | |
| SCHEMBL28328822 | 0.77 | CES2 (0.43) | PPARGCES2IDO1TDO2PPARA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110317200-B | Pyrimidinium compounds and uses thereof | 东莞市东阳光农药研发有限公司 | 2020-09-11 | — | — | CN | disclosed |
| CN-110317200-A | Pyrimidine compound and application thereof | 东莞东阳光科研发有限公司 | 2019-10-11 | — | — | CN | disclosed |