Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 4/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | SCN1A | P35498 | 1/20 | 0.32 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21443881 | 1.00 | MAPK1 (0.32) | MAPK1CYP3A4TSHRGMNNBLM | |
| SCHEMBL29983168 | 1.00 | MAPK1 (0.32) | MAPK1CYP3A4TSHRGMNNBLM | |
| SCHEMBL30005620 | 1.00 | MAPK1 (0.32) | MAPK1CYP3A4TSHRGMNNBLM | |
| SCHEMBL4962408 | 0.73 | MAPK1 (0.34) | MAPK1CYP3A4TSHRGMNNBLM | |
| SCHEMBL30894550 | 0.73 | MAPK1 (0.34) | MAPK1CYP3A4TSHRGMNNBLM | |
| SCHEMBL309186 | 0.73 | MAPK1 (0.34) | MAPK1CYP3A4TSHRGMNNBLM | |
| SCHEMBL309187 | 0.73 | MAPK1 (0.34) | MAPK1CYP3A4TSHRGMNNBLM | |
| SCHEMBL29569869 | 0.68 | MAPT (0.42) | MAPK1CYP3A4TSHRKMT2ALSS | |
| SCHEMBL11263760 | 0.68 | PTPN1 (0.40) | CYP3A4TSHRKMT2ALSS | |
| SCHEMBL26637806 | 0.68 | LSS (0.36) | TSHRKMT2ALSS |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110339202-B | Pharmaceutical composition and application thereof | 天士力医药集团股份有限公司 | 2022-10-25 | — | — | CN | claimed |
| EP-3777866-B1 | PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | TASLY PHARMACEUTICAL GROUP CO (CN) | 2024-08-21 | — | — | EP | disclosed |
| CN-110339202-B | Pharmaceutical composition and application thereof | 天士力医药集团股份有限公司 | 2022-10-25 | — | — | CN | disclosed |