Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.47 |
| ▸ | RXRG | P48443 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | MRGPRX4 | Q96LA9 | 4/20 | 0.43 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.42 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | VNN1 | O95497 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TMPRSS4 | Q9NRS4 | 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 | |
|---|---|---|---|---|
| SCHEMBL29656570 | 1.00 | RXRA (0.47) | RXRARXRGCES2MRGPRX4GPBAR1 | |
| SCHEMBL5898589 | 0.83 | CES2 (0.59) | RXRARXRGCES2NOTUMPPARG | |
| SCHEMBL2393798 | 0.82 | CES2 (0.50) | RXRARXRGCES2MRGPRX4GPBAR1 | |
| SCHEMBL29488327 | 0.80 | MRGPRX4 (0.57) | RXRARXRGCES2MRGPRX4GPBAR1 | |
| SCHEMBL545065 | 0.80 | MRGPRX4 (0.57) | RXRARXRGCES2MRGPRX4GPBAR1 | |
| SCHEMBL2789789 | 0.79 | CES2 (0.50) | RXRARXRGCES2MRGPRX4GPBAR1 | |
| SCHEMBL20646737 | 0.79 | — | — | |
| SCHEMBL4283632 | 0.79 | CES2 (0.50) | RXRARXRGCES2MRGPRX4GPBAR1 | |
| SCHEMBL16961681 | 0.78 | CES2 (0.44) | RXRARXRGCES2MRGPRX4GPBAR1 | |
| SCHEMBL545041 | 0.78 | NOTUM (0.60) | RXRARXRGCES2MRGPRX4GPBAR1 |
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-114539245-A | Pyrimidine-fused ring derivative-containing regulator, and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2022-05-27 | — | — | CN | disclosed |