Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28633610 | 1.00 | CYP2A6 (0.46) | CYP2A6TDP1NPC1RAB9AAKR1C3 | |
| SCHEMBL28641298 | 1.00 | CYP2A6 (0.46) | CYP2A6TDP1NPC1RAB9AAKR1C3 | |
| SCHEMBL28640754 | 0.86 | RELA (0.50) | AKR1C3KDM4EALDH1A1L3MBTL1RELA | |
| SCHEMBL28640757 | 0.86 | RELA (0.50) | AKR1C3KDM4EALDH1A1L3MBTL1RELA | |
| SCHEMBL28644641 | 0.84 | PTPN1 (0.56) | CYP2A6AKR1C3KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL28634301 | 0.84 | PTPN1 (0.56) | CYP2A6AKR1C3KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL28634303 | 0.84 | PTPN1 (0.56) | CYP2A6AKR1C3KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL7217591 | 0.82 | CYP2A6 (0.47) | CYP2A6TDP1NPC1RAB9AKDM4E | |
| SCHEMBL7217583 | 0.82 | CYP2A6 (0.47) | CYP2A6TDP1NPC1RAB9AKDM4E | |
| SCHEMBL31172199 | 0.75 | ALDH1A1 (0.50) | KDM4EALDH1A1L3MBTL1RELAPTGS1 |
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-104447521-B | Reagent for preparing high-selectivity monofluoroolefin | 中国科学院上海有机化学研究所 | 2021-09-03 | — | — | CN | disclosed |