Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16281304 | 1.00 | CES2 (0.47) | CES2CES1HDAC8HDAC6ALDH1A1 | |
| SCHEMBL612570 | 1.00 | — | — | |
| SCHEMBL22803 | 1.00 | — | — | |
| SCHEMBL10887881 | 1.00 | CES2 (0.47) | CES2CES1HDAC8HDAC6ALDH1A1 | |
| SCHEMBL4752203 | 1.00 | CES2 (0.47) | CES2CES1HDAC8HDAC6ALDH1A1 | |
| SCHEMBL1710981 | 1.00 | — | — | |
| SCHEMBL8246323 | 1.00 | CES2 (0.47) | CES2CES1HDAC8HDAC6ALDH1A1 | |
| SCHEMBL14132626 | 1.00 | CES2 (0.47) | CES2CES1HDAC8HDAC6ALDH1A1 | |
| SCHEMBL4234607 | 1.00 | CES2 (0.47) | CES2CES1HDAC8HDAC6ALDH1A1 | |
| SCHEMBL28221688 | 1.00 | CES2 (0.47) | CES2CES1HDAC8HDAC6ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112979441-B | Method for chlorinating saturated C-H by using brine as chlorinating agent | 河北科技大学 | 2022-10-25 | — | — | CN | disclosed |
| CN-112979441-A | Method for chlorinating saturated C-H by using brine as chlorinating agent | 河北科技大学 | 2021-06-18 | — | — | CN | disclosed |
| US-4452678-A | RADIATION USING GROUP 5 METAL CATALYST | SOCIETE NATIONALE ELF AQUITAINE (FR) | 1984-06-05 | — | — | US | disclosed |