Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 15/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23033958 | 0.84 | HDAC6 (0.55) | HDAC6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL29479649 | 0.83 | PIK3CA (0.63) | HDAC6MAPTKDM4EALDH1A1NPSR1 | |
| SCHEMBL23012902 | 0.83 | PIK3CA (0.63) | HDAC6MAPTKDM4EALDH1A1NPSR1 | |
| SCHEMBL29479777 | 0.82 | SMN1; SMN2 (0.59) | MAPTKDM4EALDH1A1NPSR1RXFP1 | |
| SCHEMBL28711116 | 0.82 | SMN1; SMN2 (0.59) | MAPTKDM4EALDH1A1NPSR1RXFP1 | |
| SCHEMBL31165972 | 0.80 | PIK3CB (0.43) | HDAC6MAPTKDM4EALDH1A1NPSR1 | |
| SCHEMBL29479698 | 0.79 | HDAC6 (0.52) | HDAC6 | |
| SCHEMBL28710674 | 0.79 | HDAC6 (0.52) | HDAC6 | |
| SCHEMBL23012175 | 0.77 | NPC1 (0.70) | MAPTKDM4EALDH1A1NPSR1RXFP1 | |
| SCHEMBL29479610 | 0.77 | POLB (0.50) | HDAC6MAPTKDM4EALDH1A1NPSR1 |
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 |