Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ASPH | Q12797 | 1/20 | 0.35 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.35 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 2/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | CCNC | P24863 | 2/20 | 0.34 |
| ▸ | CDK8 | P49336 | 2/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30047616 | 0.82 | ALDH1A1 (0.39) | LMNASMN1; SMN2KDM4EASPHKDM8 | |
| SCHEMBL1478308 | 0.82 | SMN1; SMN2 (0.46) | LMNASMN1; SMN2KDM4EASPHKDM8 | |
| SCHEMBL28164428 | 0.81 | MKNK1 (0.44) | POLBNTRK1PIM1ACVR1KDM4E | |
| SCHEMBL2338841 | 0.80 | NAPRT (0.38) | NTRK1PIM1KDM4EASPHKDM8 | |
| SCHEMBL2159768 | 0.80 | POLB (0.40) | POLBLMNASMN1; SMN2CASP1NTRK1 | |
| SCHEMBL1058104 | 0.78 | HTT (0.39) | POLBLMNASMN1; SMN2NTRK1PIM1 | |
| SCHEMBL25259786 | 0.78 | LMNA (0.34) | LMNASMN1; SMN2KDM4EASPHKDM8 | |
| SCHEMBL4793593 | 0.77 | POLB (0.38) | POLBLMNASMN1; SMN2CASP1NTRK1 | |
| SCHEMBL8707409 | 0.77 | POLB (0.38) | POLBLMNASMN1; SMN2CASP1NTRK1 | |
| SCHEMBL6258938 | 0.77 | POLB (0.55) | POLBLMNASMN1; SMN2NTRK1PIM1 |
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-115160309-A | KRAS G12C Preparation and application of mutant protein heterocyclic inhibitor | 药雅科技(上海)有限公司 | 2022-10-11 | — | — | CN | disclosed |
| CN-115073450-A | KRAS G12C Preparation and application of mutant protein inhibitor | 药雅科技(上海)有限公司 | 2022-09-20 | — | — | CN | disclosed |
| CN-115073451-A | KRAS G12D Preparation and application of mutant protein inhibitor | 药雅科技(上海)有限公司 | 2022-09-20 | — | — | CN | disclosed |