Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VNN1 | O95497 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | GRM5 | P41594 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HSPA1A | P0DMV8 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL1936290 | 0.87 | FFAR3 (0.33) | VNN1CYP3A4CYP2C9ALDH1A1CYP2C19 | |
| SCHEMBL4550437 | 0.83 | CYP3A4 (0.43) | VNN1EPHX2CYP3A4HIF1AKMT2A | |
| SCHEMBL15516069 | 0.83 | ALDH1A1 (0.44) | EPHX2CYP3A4GRM5HIF1AKMT2A | |
| SCHEMBL30728778 | 0.79 | POLB (0.48) | VNN1EPHX2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL12895649 | 0.79 | CYP2C9 (0.51) | CYP3A4HIF1ACYP2C9ALDH1A1CYP2C19 | |
| SCHEMBL22991226 | 0.79 | RIPK1 (0.38) | VNN1EPHX2CYP3A4GRM5KMT2A | |
| SCHEMBL16750122 | 0.79 | VNN1 (0.38) | VNN1GRM5KMT2ACYP2C9MEN1 | |
| SCHEMBL16975458 | 0.78 | GRM5 (0.35) | CYP3A4GRM5HIF1AKMT2AMEN1 | |
| SCHEMBL25269622 | 0.78 | FFAR3 (0.44) | EPHX2CYP3A4GRM5HIF1AKMT2A | |
| SCHEMBL25268918 | 0.78 | FFAR3 (0.44) | EPHX2CYP3A4GRM5HIF1AKMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118772151-A | Compounds with anti-KRAS mutant tumor activity | 泰励生物科技（上海）有限公司 | 2024-10-15 | — | — | CN | disclosed |
| CN-117769554-A | Small molecule inhibitors of KRAS muteins | 大鹏药品工业株式会社 | 2024-03-26 | — | — | CN | disclosed |
| CN-117624170-A | Compounds with anti-KRAS mutant tumor activity | 泰励生物科技（上海）有限公司 | 2024-03-01 | — | — | CN | disclosed |
| WO-2024012519-A1 | PAN-KRAS INHIBITOR | 北京华森英诺生物科技有限公司 | 2024-01-18 | — | — | WO | disclosed |
| WO-2009016410-A2 | CHEMICAL COMPOUNDS 831 | ASTRAZENECA AB (SE) | 2009-02-05 | — | — | WO | disclosed |