Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | JUN | P05412 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.44 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Nicotinaldehyde SCHEMBL31529397 | 1.00 | MAPT (0.50) | MAPTRAB9AKDM4EMAPK1NPC1 | |
| Nicotinaldehyde SCHEMBL28290769 | 0.85 | MAPT (0.56) | MAPTRAB9AKDM4EMAPK1NPC1 | |
| Nicotinaldehyde SCHEMBL28383849 | 0.85 | MAPT (0.56) | MAPTRAB9AKDM4EMAPK1NPC1 | |
| Nicotinaldehyde SCHEMBL9005450 | 0.84 | MAPT (0.55) | MAPTRAB9AKDM4EMAPK1NPC1 | |
| Nicotinaldehyde SCHEMBL9008649 | 0.84 | MAPT (0.55) | MAPTRAB9AKDM4EMAPK1NPC1 | |
| Nicotinaldehyde SCHEMBL29364000 | 0.83 | — | — | |
| Nicotinaldehyde SCHEMBL28069499 | 0.83 | ALDH1A1 (0.58) | MAPTRAB9AKDM4EMAPK1NPC1 | |
| Nicotinaldehyde SCHEMBL55950 | 0.83 | — | — | |
| Trifluoroacetic Acid SCHEMBL7012854 | 0.83 | MKNK1 (0.54) | MAPTKDM4EKMT2AALDH1A1CYP1A1 | |
| Nicotinaldehyde SCHEMBL28267384 | 0.81 | CYP11B2 (0.57) | MAPTRAB9AKDM4EMAPK1NPC1 |
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-111393434-B | Substituted 4-phenylpiperidines, their preparation and use | 哥伦比亚大学董事会 | 2022-11-04 | — | — | CN | disclosed |