Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.63 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.63 |
| ▸ | ESR2 | Q92731 | 12/20 | 0.60 |
| ▸ | ESR1 | P03372 | 11/20 | 0.60 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.43 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29479649 | 1.00 | PIK3CA (0.63) | PIK3CAPIK3CBESR2ESR1APP | |
| SCHEMBL28711116 | 0.85 | SMN1; SMN2 (0.59) | MAPTRAB9AKDM4EALDH1A1NPSR1 | |
| SCHEMBL29479777 | 0.85 | SMN1; SMN2 (0.59) | MAPTRAB9AKDM4EALDH1A1NPSR1 | |
| SCHEMBL23012890 | 0.83 | HDAC6 (0.49) | PIK3CAPIK3CBHDAC6MAPTRAB9A | |
| SCHEMBL31165972 | 0.83 | PIK3CB (0.43) | PIK3CAPIK3CBESR2ESR1HDAC6 | |
| SCHEMBL28710674 | 0.82 | HDAC6 (0.52) | HDAC6 | |
| SCHEMBL29479698 | 0.82 | HDAC6 (0.52) | HDAC6 | |
| SCHEMBL23033952 | 0.81 | PIK3CB (0.67) | PIK3CAPIK3CBESR2ESR1APP | |
| SCHEMBL29479584 | 0.81 | PIK3CB (0.67) | PIK3CAPIK3CBESR2ESR1APP | |
| SCHEMBL23012175 | 0.80 | NPC1 (0.70) | MAPTMEN1RAB9AKMT2AKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114269725-A | Anti-influenza virus compound and preparation method and application thereof | 四川海思科制药有限公司 | 2022-04-01 | — | — | CN | disclosed |
| 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 |