Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 3/20 | 0.43 |
| ▸ | MAOB | P27338 | 3/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2533168 | 0.85 | APP (0.42) | — | |
| SCHEMBL5607030 | 0.82 | CA2 (0.58) | CA2CYP2A6ALDH1A1CA12CA3 | |
| SCHEMBL10300311 | 0.82 | CA2 (0.58) | CA2CYP2A6ALDH1A1CA12CA3 | |
| SCHEMBL2503454 | 0.78 | CA2 (0.69) | CA2CYP2A6ALDH1A1CA12CA3 | |
| SCHEMBL45942 | 0.78 | CA2 (0.69) | CA2CYP2A6ALDH1A1CA12CA3 | |
| Water SCHEMBL28254092 | 0.78 | CA2 (0.69) | CA2CYP2A6ALDH1A1CA12CA3 | |
| Water SCHEMBL28189314 | 0.78 | CA2 (0.69) | CA2CYP2A6ALDH1A1CA12CA3 | |
| SCHEMBL30486018 | 0.77 | CYP1A1 (0.44) | MMP3KIF11 | |
| SCHEMBL8621608 | 0.76 | MAOB (0.64) | CA2CYP2A6ALDH1A1CA12CA3 | |
| SCHEMBL28303321 | 0.75 | ENPP2 (0.45) | TSHRENPP2GSK3B |
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-115197046-B | Halogenation method of unsaturated hydrocarbon | 华南理工大学 | 2023-12-15 | — | — | CN | disclosed |
| CN-115197046-A | Halogenation method of unsaturated hydrocarbon | 华南理工大学 | 2022-10-18 | — | — | CN | disclosed |