Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.45 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.45 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 2/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28609827 | 1.00 | CYP2A6 (0.55) | CYP2A6NPC1RAB9AKDM4EL3MBTL1 | |
| SCHEMBL30835041 | 0.99 | CYP2A6 (0.54) | CYP2A6NPC1RAB9AKDM4EL3MBTL1 | |
| Rubidium SCHEMBL30835082 | 0.99 | CYP2A6 (0.54) | CYP2A6NPC1RAB9AKDM4EL3MBTL1 | |
| Potassium SCHEMBL30835122 | 0.99 | CYP2A6 (0.54) | CYP2A6NPC1RAB9AKDM4EL3MBTL1 | |
| Lithium SCHEMBL30835093 | 0.99 | CYP2A6 (0.54) | CYP2A6NPC1RAB9AKDM4EL3MBTL1 | |
| SCHEMBL28284786 | 0.84 | CYP2A6 (0.57) | CYP2A6NPC1RAB9AKDM4EL3MBTL1 | |
| SCHEMBL30835016 | 0.84 | CYP2A6 (0.57) | CYP2A6NPC1RAB9AKDM4EL3MBTL1 | |
| SCHEMBL18121035 | 0.84 | CYP2A6 (0.60) | CYP2A6NPC1RAB9AKDM4EL3MBTL1 | |
| SCHEMBL9974952 | 0.84 | CYP2A6 (0.64) | CYP2A6NPC1RAB9ACYP19A1MKNK1 | |
| Rubidium SCHEMBL30835123 | 0.83 | CYP2A6 (0.55) | CYP2A6NPC1RAB9AKDM4EL3MBTL1 |
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-112961102-B | Metal complex and electron transport material using the same | 大电株式会社 | 2024-03-12 | — | — | CN | disclosed |