Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23979799 | 0.81 | SCN4A (0.36) | CYP1A2CYP3A4CYP2D6NFKB1ALDH1A1 | |
| SCHEMBL24579782 | 0.81 | PDCD1 (0.33) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL23979816 | 0.78 | MAOA (0.32) | ALDH1A1MAOAKDM4EHSD17B10 | |
| SCHEMBL27973487 | 0.76 | CNR2 (0.36) | CYP1A2CYP3A4CYP2D6ALDH1A1MAOA | |
| SCHEMBL30824549 | 0.76 | CYP2D6 (0.45) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL22495173 | 0.76 | CYP2D6 (0.45) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL27147342 | 0.76 | CYP2D6 (0.45) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL21071356 | 0.76 | CYP2D6 (0.45) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| Hydrochloric Acid SCHEMBL31482194 | 0.74 | LMNA (0.47) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL29907899 | 0.72 | MAPT (0.41) | CYP1A2CYP3A4ALDH1A1LMNAMAOA |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |