Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.56 |
| ▸ | GSK3B | P49841 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.49 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL24239347 | 0.81 | CES2 (0.56) | ALDH1A1MAPTCES2SRD5A2 | |
| SCHEMBL20221553 | 0.80 | MAPT (0.44) | PTPN1GSK3BALDH1A1MAPTSRD5A2 | |
| SCHEMBL3391803 | 0.79 | ALDH1A1 (0.60) | PTPN1GSK3BALDH1A1MAPTCES2 | |
| SCHEMBL31423428 | 0.79 | PTPN1 (0.59) | PTPN1GSK3BALDH1A1MAPTCES2 | |
| SCHEMBL10465723 | 0.77 | GSK3B (0.53) | GSK3BALDH1A1MAPTCES2CES1 | |
| SCHEMBL17702639 | 0.77 | NPC1 (0.53) | GSK3BALDH1A1MAPTCES2CES1 | |
| SCHEMBL11074838 | 0.77 | GSK3B (0.53) | GSK3BALDH1A1MAPTCES2CES1 | |
| SCHEMBL28873117 | 0.77 | PTPN1 (0.61) | PTPN1GSK3BALDH1A1MAPTCES2 | |
| SCHEMBL20716307 | 0.76 | VNN1 (0.43) | HDAC8 | |
| SCHEMBL2865542 | 0.76 | ALDH1A1 (0.70) | PTPN1GSK3BALDH1A1MAPTCES2 |
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-112513021-B | ROR gamma antagonist and application thereof in medicines | 广东东阳光药业有限公司 | 2023-06-27 | — | — | CN | disclosed |