Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.58 |
| ▸ | RAB9A | P51151 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.58 |
| ▸ | RELA | Q04206 | 1/20 | 0.58 |
| ▸ | APP | P05067 | 1/20 | 0.54 |
| ▸ | NCF1 | P14598 | 1/20 | 0.53 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 2/20 | 0.52 |
| ▸ | MAOB | P27338 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | NQO1 | P15559 | 1/20 | 0.50 |
| ▸ | CASP3 | P42574 | 1/20 | 0.50 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.50 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.49 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4486496 | 0.90 | KDM4E (0.70) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL14500755 | 0.86 | NPC1 (0.59) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL30228475 | 0.84 | KDM4E (0.66) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL5682765 | 0.84 | KDM4E (0.66) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL2162844 | 0.83 | APP (0.57) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL30228533 | 0.83 | PDGFRB (0.57) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL28992132 | 0.83 | PDGFRB (0.57) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL483834 | 0.82 | MAOB (0.50) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL483732 | 0.82 | MAPT (0.61) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL483701 | 0.81 | NCF1 (0.54) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 |
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-109988106-B | Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine | 广东东阳光药业有限公司 | 2023-03-31 | — | — | CN | disclosed |