Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 5/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | SMO | Q99835 | 1/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.40 |
| ▸ | VNN1 | O95497 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18810055 | 1.00 | PTGES (0.50) | PTGESHDAC6CA1CA2CA7 | |
| SCHEMBL18809962 | 0.83 | PTGES (0.48) | PTGESHDAC6CA1CA2CA7 | |
| SCHEMBL3359490 | 0.81 | CYP2C9 (0.50) | CHRNA7CACNA1HVNN1 | |
| SCHEMBL18809969 | 0.81 | ERCC1 (0.55) | PTGESSMOCHRNA7CACNA1HAR | |
| SCHEMBL29417087 | 0.81 | ERCC1 (0.55) | PTGESSMOCHRNA7CACNA1HAR | |
| SCHEMBL25590873 | 0.78 | HDAC6 (0.50) | PTGESHDAC6CA1CA2CA7 | |
| SCHEMBL25489342 | 0.78 | CACNA1H (0.39) | CHRNA7CACNA1HARVNN1 | |
| SCHEMBL25488907 | 0.77 | LOXL2 (0.50) | CHRNA7CACNA1HARVNN1 | |
| SCHEMBL29417203 | 0.76 | PTGES (0.46) | PTGESCHRNA7CACNA1HVNN1 | |
| SCHEMBL18809824 | 0.76 | PTGES (0.46) | PTGESCHRNA7CACNA1HVNN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108137513-B | Pyrimidine derivatives | ASKA 制药株式会社 | 2022-03-01 | — | — | CN | disclosed |