Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MAP3K12 | Q12852 | 13/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28284245 | 0.95 | NOS3 (0.47) | NOS3NOS2GABRA2GABRB2MAPK1 | |
| SCHEMBL2338512 | 0.91 | NOS3 (0.50) | NOS3NOS2MAPK1MAP3K12ADRB1 | |
| SCHEMBL7074219 | 0.83 | MAPK1 (0.58) | NOS3NOS2MAPK1MAP3K12ADRB1 | |
| Hydrochloric Acid SCHEMBL31061313 | 0.82 | MAPK1 (0.57) | MAPK1MAP3K12ADRB1 | |
| SCHEMBL21037498 | 0.81 | MAP3K12 (0.55) | MAPK1MAP3K12ADRB1 | |
| SCHEMBL3782541 | 0.79 | CHRNB2 (0.51) | NOS3NOS2MAPK1MAP3K12ADRB1 | |
| SCHEMBL31061341 | 0.79 | CHRNB2 (0.51) | NOS3NOS2MAPK1MAP3K12ADRB1 | |
| SCHEMBL29992344 | 0.78 | NOS3 (0.44) | NOS3NOS2MAPK1MAP3K12ADRB1 | |
| SCHEMBL29992609 | 0.78 | NOS3 (0.49) | NOS3NOS2MAPK1MAP3K12ADRB1 | |
| SCHEMBL29992046 | 0.78 | NOS3 (0.44) | NOS3NOS2MAPK1MAP3K12ADRB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109476600-A | Pyrithione, pharmaceutical compositions thereof and therapeutic use thereof for treating proliferative, inflammatory, neurodegenerative or immune-mediated diseases | 拜欧赛里克斯公司 | 2019-03-15 | — | — | CN | claimed |
| CN-109476600-A | Pyrithione, pharmaceutical compositions thereof and therapeutic use thereof for treating proliferative, inflammatory, neurodegenerative or immune-mediated diseases | 拜欧赛里克斯公司 | 2019-03-15 | — | — | CN | disclosed |
| CN-109415358-A | 6-aminopyridin-3-ylthiazoles as ROR gamma t modulators | 詹森药业有限公司 | 2019-03-01 | — | — | CN | disclosed |