Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 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 | |
|---|---|---|---|---|
| SCHEMBL29149759 | 1.00 | PTGS1 (0.35) | PTGS1PTGS2GAATSHRAGTR1 | |
| SCHEMBL29149833 | 1.00 | PTGS1 (0.35) | PTGS1PTGS2GAATSHRAGTR1 | |
| SCHEMBL29924327 | 1.00 | PTGS1 (0.35) | PTGS1PTGS2GAATSHRAGTR1 | |
| SCHEMBL23980833 | 0.87 | HTR2A (0.37) | HTR2AHTR2CHTR2BHTTFFAR1 | |
| SCHEMBL24186456 | 0.87 | HTR2A (0.37) | HTR2AHTR2CHTR2BHTTFFAR1 | |
| SCHEMBL29924349 | 0.87 | HTR2A (0.37) | HTR2AHTR2CHTR2BHTTFFAR1 | |
| SCHEMBL29924339 | 0.85 | HTT (0.43) | TSHRHTR2AHTR2CHTTNPC1 | |
| SCHEMBL29150031 | 0.85 | HTT (0.43) | TSHRHTR2AHTR2CHTTNPC1 | |
| SCHEMBL29424063 | 0.81 | MAPT (0.46) | GAATSHRHTTNPC1L3MBTL1 | |
| SCHEMBL29924715 | 0.78 | HTT (0.39) | GAATSHRHTTMCL1L3MBTL1 |
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 |