Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | CPA1 | P15085 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10072108 | 0.84 | TDP1 (0.47) | TDP1HCAR2FFAR1ESR1ESR2 | |
| SCHEMBL30984441 | 0.82 | TDP1 (0.46) | TDP1HCAR2FFAR1ESR1ESR2 | |
| SCHEMBL30984457 | 0.82 | TDP1 (0.46) | TDP1HCAR2FFAR1ESR1ESR2 | |
| SCHEMBL24737439 | 0.81 | TSHR (0.52) | TDP1CPA1NPC1RAB9AL3MBTL1 | |
| SCHEMBL3248092 | 0.81 | FFAR4 (0.55) | TDP1HCAR2FFAR1ESR1ESR2 | |
| SCHEMBL20378880 | 0.80 | MAPT (0.45) | TDP1FFAR1KEAP1LMNAMAPK1 | |
| SCHEMBL3884363 | 0.79 | FFAR4 (0.54) | TDP1HCAR2FFAR1ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL7690739 | 0.79 | FFAR4 (0.54) | TDP1HCAR2FFAR1ESR1ESR2 | |
| SCHEMBL10242706 | 0.78 | ALDH1A1 (0.57) | TDP1HCAR2FFAR1ESR1ESR2 | |
| SCHEMBL22266205 | 0.78 | LMNA (0.53) | TDP1HCAR2FFAR1ESR1ESR2 |
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 |