Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.43 |
| ▸ | KDM4A | O75164 | 1/20 | 0.42 |
| ▸ | KDM4B | O94953 | 1/20 | 0.42 |
| ▸ | KDM5C | P41229 | 1/20 | 0.42 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.42 |
| ▸ | KMO | O15229 | 2/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29479591 | 1.00 | HDAC6 (0.43) | HDAC6KDM4AKDM4BKDM5CKDM5B | |
| SCHEMBL29479837 | 0.84 | RAB9A (0.41) | HDAC6ESR1ESR2MAPTALDH1A1 | |
| SCHEMBL23012965 | 0.84 | RAB9A (0.41) | HDAC6ESR1ESR2MAPTALDH1A1 | |
| SCHEMBL29479666 | 0.82 | PIM1 (0.56) | HDAC6KMOESR1ESR2PIK3CA | |
| SCHEMBL23012087 | 0.82 | PIM1 (0.56) | HDAC6KMOESR1ESR2PIK3CA | |
| SCHEMBL28701729 | 0.82 | HDAC6 (0.38) | HDAC6ESR1ESR2PIK3CAPIK3CB | |
| SCHEMBL23034194 | 0.80 | KMO (0.40) | HDAC6KMOS1PR1ESR1ESR2 | |
| SCHEMBL29479745 | 0.80 | KMO (0.40) | HDAC6KMOS1PR1ESR1ESR2 | |
| SCHEMBL23033416 | 0.80 | JMJD6 (0.43) | HDAC6KMOS1PR1ESR1ESR2 | |
| SCHEMBL23034204 | 0.80 | S1PR1 (0.45) | HDAC6KMOS1PR1ESR1ESR2 |
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 |