Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | SSTR4 | P31391 | 9/20 | 0.38 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.32 |
| ▸ | SSTR2 | P30874 | 1/20 | 0.32 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.32 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.32 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.32 |
| ▸ | PLK1 | P53350 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL18212231 | 0.81 | ESR1 (0.41) | LMNASMN1; SMN2PLK1ESR1 | |
| SCHEMBL19954876 | 0.81 | SSTR4 (0.50) | ADORA3ADORA1SSTR4KAT2BMAPK8 | |
| SCHEMBL31582863 | 0.79 | ADORA3 (0.40) | ADORA3ADORA1SSTR4MAPK8LMNA | |
| SCHEMBL14158503 | 0.78 | ESR1 (0.31) | ESR1 | |
| SCHEMBL13106236 | 0.77 | SSTR4 (0.40) | SSTR4KAT2BLMNAEGFRJAK2 | |
| SCHEMBL15687376 | 0.76 | ADORA3 (0.38) | ADORA3ADORA1SSTR4MAPK8SMN1; SMN2 | |
| SCHEMBL14158416 | 0.75 | PTGER3 (0.31) | — | |
| SCHEMBL16722620 | 0.75 | SSTR4 (0.39) | SSTR4KAT2BLMNAEGFRSSTR1 | |
| SCHEMBL9181361 | 0.75 | SCN9A (0.42) | SSTR4KAT2BEGFRSSTR1SSTR2 | |
| SCHEMBL20356344 | 0.75 | ADORA3 (0.34) | ADORA3ADORA1MAPK8 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021219072-A1 | PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR | 上海科州药物研发有限公司 (CN) | 2021-11-04 | — | — | WO | disclosed |