Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K5 | Q99683 | 19/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15811799 | 1.00 | MAP3K5 (0.45) | MAP3K5KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL25619953 | 0.89 | MAP3K5 (0.45) | MAP3K5KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL30433017 | 0.87 | MAP3K5 (0.47) | MAP3K5KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL20557512 | 0.87 | MAP3K5 (0.47) | MAP3K5KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL21461179 | 0.86 | MAP3K5 (0.45) | MAP3K5KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL28848812 | 0.84 | MAP3K5 (0.51) | MAP3K5AKT1 | |
| SCHEMBL21461018 | 0.83 | MAP3K5 (0.49) | MAP3K5AKT1 | |
| SCHEMBL21461037 | 0.83 | MAP3K5 (0.49) | MAP3K5AKT1 | |
| SCHEMBL31249002 | 0.82 | MAP3K5 (0.49) | MAP3K5AKT1 | |
| SCHEMBL31249019 | 0.82 | MAP3K5 (0.49) | MAP3K5AKT1 |
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-110869017-B | Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof | 英安塔制药有限公司 | 2023-05-05 | — | — | CN | disclosed |