Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | UTRN | P46939 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL28707203 | 1.00 | NPC1 (0.42) | NPC1RAB9APIK3CBPIK3CAHSD17B10 | |
| SCHEMBL31165972 | 0.82 | PIK3CB (0.43) | NPC1RAB9APIK3CBPIK3CAHSD17B10 | |
| SCHEMBL23033952 | 0.80 | PIK3CB (0.67) | NPC1RAB9APIK3CBPIK3CAHSD17B10 | |
| SCHEMBL29479584 | 0.80 | PIK3CB (0.67) | NPC1RAB9APIK3CBPIK3CAHSD17B10 | |
| SCHEMBL28706419 | 0.76 | TSHR (0.46) | NPC1RAB9APIK3CBPIK3CAHSD17B10 | |
| SCHEMBL29479786 | 0.76 | CEPT1 (0.42) | NPC1RAB9APIK3CBPIK3CAHSD17B10 | |
| SCHEMBL28713889 | 0.76 | CEPT1 (0.42) | NPC1RAB9APIK3CBPIK3CAHSD17B10 | |
| SCHEMBL29479630 | 0.76 | TSHR (0.46) | NPC1RAB9APIK3CBPIK3CAHSD17B10 | |
| SCHEMBL23012359 | 0.76 | HSD17B10 (0.54) | NPC1RAB9AHSD17B10KDM4ESMN1; SMN2 | |
| SCHEMBL29479847 | 0.76 | HSD17B10 (0.54) | NPC1RAB9AHSD17B10KDM4ESMN1; 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 |