Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 5/20 | 0.36 |
| ▸ | RAB9A | P51151 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | UTRN | P46939 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23034225 | 0.82 | KMO (0.41) | ESR1ESR2PIK3CBPIK3CANPC1 | |
| SCHEMBL31165958 | 0.82 | ESR1 (0.37) | ESR1ESR2PIK3CBPIK3CANPC1 | |
| SCHEMBL28706364 | 0.80 | PIM1 (0.45) | ESR1ESR2PIK3CBPIK3CANPC1 | |
| SCHEMBL29479599 | 0.80 | PIM1 (0.45) | ESR1ESR2PIK3CBPIK3CANPC1 | |
| SCHEMBL28707207 | 0.79 | PIM1 (0.44) | PIK3CBPIK3CANPC1RAB9AKDM4E | |
| SCHEMBL28701729 | 0.77 | HDAC6 (0.38) | ESR1ESR2PIK3CBPIK3CANPC1 | |
| SCHEMBL28695272 | 0.77 | ESR1 (0.37) | ESR1ESR2PIK3CBPIK3CANPC1 | |
| SCHEMBL28710783 | 0.77 | ESR1 (0.40) | ESR1ESR2PIK3CBPIK3CANPC1 | |
| SCHEMBL28701717 | 0.77 | PIK3CD (0.40) | PIK3CBPIK3CANPC1RAB9AKDM4E | |
| SCHEMBL28935935 | 0.77 | PIK3CD (0.40) | PIK3CANPC1RAB9AKDM4ESMN1; SMN2 |
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-B | Anti-influenza virus compound, preparation method and application thereof | 西藏海思科制药有限公司 | 2024-09-17 | — | — | CN | disclosed |
| 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 |