Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | WNT3A | P56704 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 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 | |
|---|---|---|---|---|
| SCHEMBL16549389 | 0.89 | KDM4E (0.56) | KDM4EALDH1A1TSHRPDK2JAK2 | |
| SCHEMBL29410845 | 0.85 | KDM4E (0.44) | KDM4EPPARGPPARAALDH1A1TSHR | |
| SCHEMBL23275797 | 0.85 | KDM4E (0.44) | KDM4EPPARGPPARAALDH1A1TSHR | |
| SCHEMBL29575721 | 0.84 | NR4A2 (0.47) | KDM4EALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2024463 | 0.84 | NR4A2 (0.47) | KDM4EALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL29410865 | 0.80 | TAS2R14 (0.47) | KDM4ECTNNB1WNT3AALDH1A1 | |
| SCHEMBL3302698 | 0.80 | TAS2R14 (0.47) | KDM4ECTNNB1WNT3AALDH1A1 | |
| SCHEMBL31407282 | 0.79 | PARP1 (0.46) | KDM4ECTNNB1WNT3AALDH1A1 | |
| SCHEMBL29158953 | 0.79 | KDM4E (0.55) | KDM4EALDH1A1CYP1A2CYP2C9TSHR | |
| SCHEMBL28064850 | 0.71 | NR3C2 (0.45) | CTNNB1WNT3A |
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-114456098-B | Preparation method of medicine Ai Shali ketone for treating diabetic nephropathy | 大连理工大学 | 2024-06-14 | — | — | CN | claimed |
| CN-114456098-B | Preparation method of medicine Ai Shali ketone for treating diabetic nephropathy | 大连理工大学 | 2024-06-14 | — | — | CN | disclosed |