Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CCNC | P24863 | 2/20 | 0.30 |
| ▸ | CDK8 | P49336 | 2/20 | 0.30 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21714067 | 1.00 | ALDH1A1 (0.36) | ALDH1A1GAATBXAS1L3MBTL1KMT2A | |
| SCHEMBL21745177 | 0.82 | TTR (0.40) | KDM4ECYP3A4CCNCCDK8RAB9A | |
| SCHEMBL29818939 | 0.82 | TTR (0.40) | KDM4ECYP3A4CCNCCDK8RAB9A | |
| SCHEMBL21713920 | 0.78 | — | — | |
| SCHEMBL1124318 | 0.68 | ALDH1A1 (0.49) | ALDH1A1GAATBXAS1L3MBTL1KMT2A | |
| SCHEMBL1124321 | 0.68 | ALDH1A1 (0.49) | ALDH1A1GAATBXAS1L3MBTL1KMT2A | |
| SCHEMBL7326492 | 0.68 | MCL1 (0.54) | KMT2APLA2G4ARAB9A | |
| SCHEMBL7326486 | 0.68 | MCL1 (0.54) | KMT2APLA2G4ARAB9A | |
| SCHEMBL21762358 | 0.66 | POLB (0.38) | ALDH1A1L3MBTL1KDM4ECYP3A4TSHR | |
| SCHEMBL1124384 | 0.65 | ALDH1A1 (0.41) | ALDH1A1GAATBXAS1L3MBTL1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-112930347-A | Inhibitors of KEAP1-Nrf2 protein-protein interactions | 詹森药业有限公司 | 2021-06-08 | — | — | CN | disclosed |