Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 5/20 | 0.59 |
| ▸ | RPA1 | P27694 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | FBP1 | P09467 | 1/20 | 0.41 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | MARK3 | P27448 | 1/20 | 0.40 |
| ▸ | AXL | P30530 | 1/20 | 0.40 |
| ▸ | FRK | P42685 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18943456 | 1.00 | MCL1 (0.59) | MCL1RPA1KDM4EALDH1A1HPGD | |
| SCHEMBL18919782 | 0.90 | MCL1 (0.65) | MCL1RPA1KDM4EALDH1A1HPGD | |
| SCHEMBL29569903 | 0.85 | MEN1 (0.50) | MCL1RPA1KDM4EALDH1A1HPGD | |
| SCHEMBL18942989 | 0.85 | MEN1 (0.50) | MCL1RPA1KDM4EALDH1A1HPGD | |
| SCHEMBL18919697 | 0.83 | MCL1 (0.78) | MCL1RPA1KDM4EALDH1A1HPGD | |
| SCHEMBL29568334 | 0.77 | MCL1 (0.68) | MCL1RPA1KDM4EALDH1A1HPGD | |
| SCHEMBL18943417 | 0.77 | MCL1 (0.68) | MCL1RPA1KDM4EALDH1A1HPGD | |
| SCHEMBL18919757 | 0.76 | MCL1 (0.75) | MCL1RPA1KDM4EALDH1A1HPGD | |
| SCHEMBL29568451 | 0.75 | MCL1 (0.65) | MCL1RPA1KDM4EALDH1A1HPGD | |
| SCHEMBL18942982 | 0.75 | MCL1 (0.65) | MCL1RPA1KDM4EALDH1A1HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108602795-B | Inhibitors of metallo-beta-lactamases | 牛津大学科技创新有限公司 | 2022-04-22 | — | — | CN | claimed |
| CN-108602795-B | Inhibitors of metallo-beta-lactamases | 牛津大学科技创新有限公司 | 2022-04-22 | — | — | CN | disclosed |