Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 5/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 5/20 | 0.36 |
| ▸ | CSF1R | P07333 | 4/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29150031 | 1.00 | HTT (0.43) | HTTHTR2AMAPTTSHRADRA1D | |
| SCHEMBL29924327 | 0.85 | PTGS1 (0.35) | HTTHTR2ATSHRCSF1RDPP4 | |
| SCHEMBL29149833 | 0.85 | PTGS1 (0.35) | HTTHTR2ATSHRCSF1RDPP4 | |
| SCHEMBL29149759 | 0.85 | PTGS1 (0.35) | HTTHTR2ATSHRCSF1RDPP4 | |
| SCHEMBL29924595 | 0.85 | PTGS1 (0.35) | HTTHTR2ATSHRCSF1RDPP4 | |
| SCHEMBL24186456 | 0.82 | HTR2A (0.37) | HTTHTR2AMAPTHTR2CNPC1 | |
| SCHEMBL29924349 | 0.82 | HTR2A (0.37) | HTTHTR2AMAPTHTR2CNPC1 | |
| SCHEMBL23980833 | 0.82 | HTR2A (0.37) | HTTHTR2AMAPTHTR2CNPC1 | |
| SCHEMBL29924375 | 0.81 | HTR2C (0.44) | HTTHTR2CHTR1A | |
| SCHEMBL29149862 | 0.81 | HTR2C (0.44) | HTTHTR2CHTR1A |
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-117177970-A | Polycyclic derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-12-05 | — | — | CN | disclosed |
| WO-2022228490-A1 | POLYCYCLIC DERIVATIVE MODULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2022-11-03 | — | — | WO | disclosed |