Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K5 | Q99683 | 7/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MAP4K1 | Q92918 | 4/20 | 0.38 |
| ▸ | TNF | P01375 | 2/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | ABL2 | P42684 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MYLK | Q15746 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL944155 | 0.94 | MAP3K5 (0.43) | MAP3K5KDM4EHPGDALDH1A1HSD17B10 | |
| SCHEMBL30853796 | 0.94 | MAP3K5 (0.43) | MAP3K5KDM4EHPGDALDH1A1HSD17B10 | |
| SCHEMBL857728 | 0.75 | ALDH1A1 (0.43) | KDM4EHPGDALDH1A1HSD17B10MAOA | |
| SCHEMBL22126011 | 0.75 | TNF (0.38) | MAP3K5ALDH1A1TNFMYLK | |
| SCHEMBL20802751 | 0.74 | MAP3K5 (0.48) | MAP3K5MAP4K1TNFMYLK | |
| SCHEMBL6127726 | 0.74 | MAP3K5 (0.48) | MAP3K5TNFMYLK | |
| SCHEMBL28987781 | 0.73 | MAP3K5 (0.42) | MAP3K5MAP4K1TNFEGFRMYLK | |
| SCHEMBL20802774 | 0.71 | MAP3K5 (0.48) | MAP3K5MAP4K1TNFMYLK | |
| SCHEMBL29664258 | 0.71 | MAP4K4 (0.41) | KDM4EHPGDALDH1A1HSD17B10SRC | |
| SCHEMBL22404532 | 0.70 | MAP3K5 (0.47) | MAP3K5MAP4K1TNFMYLK |
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-117903128-A | ASK1/PDK1 double-targeting inhibitor, and preparation method and application thereof | 中南大学 | 2024-04-19 | — | — | CN | disclosed |