Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 2/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | F2RL1 | P55085 | 2/20 | 0.30 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.30 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL23979549 | 0.78 | PNMT (0.41) | MAOAKDM4EALDH1A1HSD17B10 | |
| SCHEMBL23982947 | 0.78 | CYP2D6 (0.38) | NPC1POLBHSP90AA1RAB9AKDM4E | |
| SCHEMBL29249917 | 0.75 | LMNA (0.49) | UTS2RNPC1HSP90AA1RAB9AALDH1A1 | |
| SCHEMBL20621277 | 0.72 | NOS2 (0.33) | MAPK1L3MBTL1 | |
| SCHEMBL29907899 | 0.68 | MAPT (0.41) | MAOAMAPK1L3MBTL1NPC1POLB | |
| SCHEMBL18782487 | 0.68 | SLC6A2 (0.37) | POLBALDH1A1 | |
| SCHEMBL5529132 | 0.68 | MAPT (0.41) | MAOAMAPK1L3MBTL1NPC1POLB | |
| SCHEMBL22639290 | 0.68 | KCNH2 (0.35) | NPC1POLBRAB9AALDH1A1 | |
| SCHEMBL21776127 | 0.67 | PNMT (0.55) | ALDH1A1 | |
| SCHEMBL29249930 | 0.67 | LMNA (0.46) | CNR2CNR1UTS2RL3MBTL1NPC1 |
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 |