Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.32 |
| ▸ | PTGES | O14684 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | MPO | P05164 | 1/20 | 0.31 |
| ▸ | TPO | P07202 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31521283 | 1.00 | PIN1 (0.37) | PIN1HTR2CHTR2BPDE5AC5AR1 | |
| SCHEMBL29071014 | 0.83 | PIN1 (0.41) | PIN1PDE5AL3MBTL1MAPK14PTGES | |
| SCHEMBL25165363 | 0.74 | PIN1 (0.40) | PIN1PDE5AL3MBTL1MAPK14PTGES | |
| SCHEMBL25164958 | 0.74 | PTGES (0.40) | PIN1PDE5AL3MBTL1MAPK14PTGES | |
| SCHEMBL25336522 | 0.73 | PIN1 (0.39) | PIN1PDE5AL3MBTL1MAPK14PTGES | |
| SCHEMBL31521252 | 0.72 | — | — | |
| SCHEMBL31041031 | 0.72 | PIN1 (0.41) | PIN1PDE5AL3MBTL1MAPK14PTGES | |
| SCHEMBL27209714 | 0.71 | PIN1 (0.37) | PIN1PDE5AL3MBTL1MAPK14PTGES | |
| SCHEMBL25432060 | 0.69 | L3MBTL1 (0.41) | HTR2CHTR2BPDE5AC5AR1HTR2A | |
| SCHEMBL23043480 | 0.68 | PIN1 (0.45) | PIN1PDE5AL3MBTL1PTGESCNR1 |
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-119790059-A | Heterocyclic compounds as KRAS inhibitors, their preparation and therapeutic use | 上海科州药物股份有限公司 | 2025-04-08 | — | — | CN | disclosed |