Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NPY1R | P25929 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.35 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23033375 | 0.83 | NPC1 (0.47) | ALDH1A1HSD17B10NPC1RAB9AKDM4E | |
| SCHEMBL23012167 | 0.81 | TYK2 (0.39) | — | |
| SCHEMBL28714600 | 0.80 | ALDH1A1 (0.44) | ALDH1A1HSD17B10NPC1RAB9AKDM4E | |
| SCHEMBL23033557 | 0.79 | CASP3 (0.51) | ALDH1A1HSD17B10NPC1RAB9AKDM4E | |
| SCHEMBL28707255 | 0.68 | APP (0.40) | ALDH1A1KDM4EKMOAPPMAPT | |
| SCHEMBL23033325 | 0.68 | ALDH1A1 (0.51) | ALDH1A1HSD17B10NPC1RAB9AKDM4E | |
| SCHEMBL23012691 | 0.68 | PIM1 (0.65) | — | |
| SCHEMBL23033594 | 0.68 | ADRA2A (0.48) | ALDH1A1NPC1RAB9AMAPTHDAC6 | |
| SCHEMBL23012913 | 0.68 | APP (0.46) | ALDH1A1RAB9ASMN1; SMN2APPMAPT | |
| SCHEMBL8169813 | 0.68 | HSD17B10 (0.52) | ALDH1A1HSD17B10NPC1RAB9AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021032209-A1 | ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF | 四川海思科制药有限公司 | 2021-02-25 | — | — | WO | disclosed |