Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.49 |
| ▸ | AGXT | P21549 | 2/20 | 0.49 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 8/20 | 0.47 |
| ▸ | PARP15 | Q460N3 | 2/20 | 0.47 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.47 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP12 | P39900 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 3/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | THRA | P10827 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29270973 | 0.86 | IDO1 (0.50) | IDO1AGXTHCAR2MAOBPARP15 | |
| SCHEMBL30984463 | 0.84 | IDO1 (0.49) | IDO1AGXTHCAR2MAOBPARP15 | |
| SCHEMBL4217267 | 0.82 | HCAR2 (0.55) | IDO1AGXTHCAR2MAOBPARP15 | |
| SCHEMBL30984449 | 0.81 | CYP3A4 (0.49) | IDO1AGXTHCAR2MAOBMMP1 | |
| SCHEMBL30984446 | 0.81 | IDO1 (0.49) | IDO1MAOBMMP2MMP9MMP12 | |
| SCHEMBL10848590 | 0.81 | MAOB (0.46) | IDO1AGXTHCAR2MAOBPARP15 | |
| SCHEMBL30984442 | 0.80 | GSK3B (0.44) | IDO1MAOBMMP1FFAR1FFAR4 | |
| SCHEMBL30984454 | 0.80 | TSHR (0.52) | NPC1ALDH1A1RAB9A | |
| SCHEMBL14473588 | 0.78 | EGFR (0.48) | IDO1AGXTHCAR2MAOBPARP15 | |
| SCHEMBL10151747 | 0.78 | MAOB (0.50) | IDO1AGXTHCAR2MAOBPARP15 |
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 |