Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL16648310 | 0.85 | ALDH1A1 (0.45) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| SCHEMBL25056791 | 0.80 | ALDH1A1 (0.36) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| SCHEMBL29374267 | 0.77 | ALDH1A1 (0.53) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| SCHEMBL1187339 | 0.77 | ALDH1A1 (0.53) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| SCHEMBL28357450 | 0.75 | ALDH1A1 (0.59) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| SCHEMBL29405571 | 0.75 | ALDH1A1 (0.59) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| SCHEMBL23299467 | 0.73 | LMNA (0.31) | GAAMAPT | |
| SCHEMBL19831076 | 0.73 | ALDH1A1 (0.37) | ALDH1A1MAPK1ATM | |
| SCHEMBL298615 | 0.71 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| SCHEMBL30545273 | 0.71 | ALDH1A1 (0.41) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 |
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-2021068898-A1 | NOVEL KRAS G12C PROTEIN INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF | 信达生物制药(苏州)有限公司 | 2021-04-15 | — | — | WO | disclosed |