Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.56 |
| ▸ | CES1 | P23141 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | ESR1 | P03372 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 6/20 | 0.54 |
| ▸ | CA2 | P00918 | 6/20 | 0.54 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28858524 | 1.00 | CES2 (0.56) | CES2CES1HPGDKDM4EALDH1A1 | |
| SCHEMBL11300893 | 0.82 | MAPT (0.50) | CES2CES1HPGDKDM4EALDH1A1 | |
| SCHEMBL11168987 | 0.82 | MAPT (0.50) | CES2CES1HPGDKDM4EALDH1A1 | |
| SCHEMBL8023079 | 0.82 | CES2 (0.55) | CES2CES1HPGDKDM4EALDH1A1 | |
| SCHEMBL6003198 | 0.81 | MAPT (0.53) | CES2CES1HPGDKDM4EALDH1A1 | |
| SCHEMBL6656342 | 0.80 | CA1 (0.57) | CES2CES1HPGDKDM4EALDH1A1 | |
| SCHEMBL6656346 | 0.80 | CA1 (0.57) | CES2CES1HPGDKDM4EALDH1A1 | |
| SCHEMBL6656347 | 0.80 | CA1 (0.57) | CES2CES1HPGDKDM4EALDH1A1 | |
| SCHEMBL13579994 | 0.79 | KDM4E (0.66) | HPGDKDM4EALDH1A1MAPTLMNA | |
| SCHEMBL11161016 | 0.78 | TCF4 (0.56) | CES2CES1HPGDKDM4EALDH1A1 |
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 |