Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | DDO | Q99489 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1187747 | 0.81 | ALDH1A1 (0.53) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| SCHEMBL29788341 | 0.81 | ALDH1A1 (0.53) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| SCHEMBL29683465 | 0.81 | ALDH1A1 (0.53) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| SCHEMBL4112541 | 0.81 | ALDH1A1 (0.53) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| SCHEMBL24857757 | 0.76 | TNF (0.41) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| SCHEMBL18599581 | 0.76 | ROCK2 (0.35) | PDPK1 | |
| SCHEMBL24663393 | 0.74 | DAO (0.39) | ALDH1A1HSD17B10HPGDCYP1A2CYP3A4 | |
| SCHEMBL22928191 | 0.70 | TTR (0.37) | FFAR1GPR84L3MBTL1CA9CES2 | |
| SCHEMBL935455 | 0.70 | — | — | |
| SCHEMBL29673107 | 0.70 | — | — |
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-2022193871-A1 | PREPARATION AND USE OF KRASG12D MUTANT PROTEIN INHIBITOR | 药雅科技(上海)有限公司 | 2022-09-22 | — | — | WO | disclosed |