Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.40 |
| ▸ | CCND1 | P24385 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29886395 | 1.00 | NOTUM (0.46) | NOTUMCCNE2CDK4CCND1CCNE1 | |
| SCHEMBL19287089 | 0.79 | KIF11 (0.50) | CCNE2CDK4CCND1CCNE1CDK2 | |
| SCHEMBL11845692 | 0.78 | ALDH1A1 (0.44) | CCNE2CDK4CCND1CCNE1CDK2 | |
| SCHEMBL23974249 | 0.78 | CCNE2 (0.43) | CCNE2CDK4CCND1CCNE1CDK2 | |
| SCHEMBL6898031 | 0.78 | SLC22A12 (0.49) | CCNE2CDK4CCND1CCNE1CDK2 | |
| SCHEMBL27750253 | 0.77 | NOTUM (0.45) | NOTUMMAPTMEN1KMT2ANPSR1 | |
| SCHEMBL23974264 | 0.77 | NOTUM (0.49) | NOTUMMAPTMEN1KMT2ANPSR1 | |
| SCHEMBL2658362 | 0.77 | ALDH1A1 (0.40) | CCNE2CDK4CCND1CCNE1CDK2 | |
| SCHEMBL29886486 | 0.77 | NOTUM (0.49) | NOTUMMAPTMEN1KMT2ANPSR1 | |
| SCHEMBL17805401 | 0.76 | TAS2R14 (0.48) | NOTUMCCNE2CDK4CCND1CCNE1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115151532-B | Quinoxalindione derivatives as irreversible inhibitors of KRAS G12C muteins | 北京泰德制药股份有限公司 | 2023-06-06 | — | — | CN | disclosed |
| CN-115151532-A | Quinoxalinedione derivatives as irreversible inhibitors of KRAS G12C muteins | 北京泰德制药股份有限公司 | 2022-10-04 | — | — | CN | disclosed |
| WO-2021219090-A1 | QUINOXALINE DIONE DERIVATIVE AS IRREVERSIBLE INHIBITOR OF KRAS G12C MUTANT PROTEIN | 北京泰德制药股份有限公司 (CN) | 2021-11-04 | — | — | WO | disclosed |