Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL24543296 | 0.86 | KDM4E (0.39) | ALDH1A1MAPT | |
| SCHEMBL24542962 | 0.76 | SIRT1 (0.38) | MAPT | |
| SCHEMBL24542958 | 0.76 | TAS1R3 (0.36) | SLC6A3ALDH1A1SLC6A4 | |
| SCHEMBL29673091 | 0.76 | SIRT1 (0.38) | MAPT | |
| SCHEMBL24543429 | 0.75 | ALDH1A1 (0.39) | SLC6A3HPGDALDH1A1RAB9A | |
| SCHEMBL15321005 | 0.67 | RAB9A (0.41) | SLC6A3ALDH1A1RAB9A | |
| SCHEMBL296739 | 0.66 | RAB9A (0.40) | SLC6A3ALDH1A1RAB9A | |
| SCHEMBL22491754 | 0.66 | RAB9A (0.40) | SLC6A3ALDH1A1RAB9A | |
| SCHEMBL3112694 | 0.66 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL2730679 | 0.64 | TSHR (0.34) | SLC6A3HPGDALDH1A1SLC6A2SLC6A4 |
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-2022127827-A1 | KRASG12C PROTEIN MUTATION INHIBITOR AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 上海维申医药有限公司 | 2022-06-23 | — | — | WO | disclosed |