Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.46 |
| ▸ | CES2 | O00748 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28858456 | 1.00 | CES1 (0.46) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL28637697 | 0.81 | MEN1 (0.44) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL28858450 | 0.81 | MEN1 (0.44) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL8921796 | 0.78 | MEN1 (0.45) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL5639403 | 0.78 | MEN1 (0.50) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL10995634 | 0.78 | MEN1 (0.45) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL8565313 | 0.78 | MEN1 (0.50) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL5639401 | 0.78 | MEN1 (0.50) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL7175389 | 0.78 | MEN1 (0.45) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL4238499 | 0.77 | NFE2L2 (0.46) | CES1CES2ALDH1A1TSHRDAO |
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 |