Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 3/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.37 |
| ▸ | FABP7 | O15540 | 1/20 | 0.36 |
| ▸ | FABP5 | Q01469 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30984447 | 0.84 | IDO1 (0.44) | GSK3BRXRARXRBIDO1MAOB | |
| SCHEMBL30984445 | 0.82 | RAB9A (0.47) | MAOBMAPTALDH1A1MMP1 | |
| SCHEMBL30984473 | 0.82 | GRM5 (0.43) | IDO1MAOBAPPALDH1A1MAOA | |
| SCHEMBL30984452 | 0.82 | CA1 (0.45) | IDO1MAOBKMT2AAPPALDH1A1 | |
| SCHEMBL30984440 | 0.82 | RXRA (0.42) | RXRARXRBIDO1MAOBKDM4E | |
| SCHEMBL30984454 | 0.81 | TSHR (0.52) | KDM4EKMT2AMAPTALDH1A1 | |
| SCHEMBL30984443 | 0.80 | IDO1 (0.49) | IDO1MAOBFFAR1FFAR4ALDH1A1 | |
| SCHEMBL1760266 | 0.79 | FFAR1 (0.51) | RXRARXRBIDO1MAOBKDM4E | |
| SCHEMBL14473786 | 0.75 | GSK3B (0.52) | GSK3BKDM4EKMT2AMAPTHPGD | |
| SCHEMBL8593602 | 0.74 | KMT2A (0.51) | GSK3BRXRARXRBIDO1MAOB |
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-117164418-B | Alpha-halogenated ketone, efficient synthesis method and application thereof | 徐州医科大学 | 2024-07-02 | — | — | CN | disclosed |