Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | GLA | P06280 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.32 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | RHEB | Q15382 | 4/20 | 0.31 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL19871227 | 0.81 | ALDH1A1 (0.35) | ALDH1A1KDM4EHPGDHSD17B10GLA | |
| SCHEMBL19948493 | 0.76 | AHR (0.39) | ALDH1A1KDM4EHPGDHSD17B10GLA | |
| SCHEMBL12113048 | 0.73 | ALDH1A1 (0.37) | ALDH1A1KDM4EHPGDHSD17B10GLA | |
| SCHEMBL14752560 | 0.73 | HSD17B10 (0.31) | ALDH1A1KDM4EHPGDHSD17B10GLA | |
| SCHEMBL20326294 | 0.73 | NR3C1 (0.32) | ALDH1A1KDM4EHPGDHSD17B10GLA | |
| SCHEMBL10291045 | 0.72 | AHR (0.39) | ALDH1A1KDM4EHPGDHSD17B10GLA | |
| SCHEMBL12309702 | 0.72 | ADORA3 (0.41) | ALDH1A1KDM4EHPGDHSD17B10GLA | |
| SCHEMBL12309699 | 0.69 | BRD4 (0.41) | ALDH1A1KDM4EPOLBKMT2ARHEB | |
| SCHEMBL1294597 | 0.68 | RXFP1 (0.47) | ALDH1A1KDM4EHPGDHSD17B10GLA | |
| SCHEMBL29713811 | 0.68 | RXFP1 (0.47) | ALDH1A1KDM4EHPGDHSD17B10GLA |
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-2021139678-A1 | PYRIDOPYRIMIDINE KRAS G12C MUTANT PROTEIN INHIBITOR | 广州百霆医药科技有限公司 | 2021-07-15 | — | — | WO | disclosed |