Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24580208 | 1.00 | HRH4 (0.34) | HRH4HRH3HRH2HRH1KCNH2 | |
| SCHEMBL26612701 | 1.00 | HRH4 (0.34) | HRH4HRH3HRH2HRH1KCNH2 | |
| SCHEMBL26528036 | 0.78 | HTR6 (0.31) | — | |
| SCHEMBL26612863 | 0.78 | KRAS (0.34) | — | |
| SCHEMBL26612858 | 0.78 | KRAS (0.34) | — | |
| SCHEMBL28487072 | 0.77 | — | — | |
| SCHEMBL23206634 | 0.76 | — | — | |
| SCHEMBL22555268 | 0.76 | SCN9A (0.31) | HRH4 | |
| SCHEMBL29947604 | 0.76 | SCN9A (0.31) | HRH4 | |
| SCHEMBL22631412 | 0.75 | SCN9A (0.32) | — |
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-116648452-A | Preparation of heterocyclic compounds as KRAS inhibitors and methods of use thereof | 上海科州药物研发有限公司 | 2023-08-25 | — | — | CN | disclosed |
| CN-113999226-B | Heterocyclic compounds as KRAS inhibitors and methods of use thereof | 上海科州药物研发有限公司 | 2023-01-06 | — | — | CN | disclosed |
| WO-2022135470-A1 | PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR | 上海科州药物研发有限公司 | 2022-06-30 | — | — | WO | disclosed |