Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.59 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.53 |
| ▸ | TOP1 | P11387 | 2/20 | 0.53 |
| ▸ | FEN1 | P39748 | 1/20 | 0.51 |
| ▸ | CDK1 | P06493 | 1/20 | 0.48 |
| ▸ | CDK4 | P11802 | 1/20 | 0.48 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.48 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.48 |
| ▸ | CCND1 | P24385 | 1/20 | 0.48 |
| ▸ | CDK2 | P24941 | 1/20 | 0.48 |
| ▸ | CDK7 | P50613 | 1/20 | 0.48 |
| ▸ | CCNH | P51946 | 1/20 | 0.48 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30117887 | 0.94 | PTGS2 (0.51) | PTGS2PTGS1ADORA1TOP1FEN1 | |
| SCHEMBL15638432 | 0.94 | PTGS2 (0.51) | PTGS2PTGS1ADORA1TOP1FEN1 | |
| SCHEMBL3169258 | 0.88 | TDP2 (0.50) | PTGS2PTGS1ADORA1TOP1MAPK14 | |
| SCHEMBL37278 | 0.88 | PTGS2 (0.66) | PTGS2PTGS1ADORA1TOP1FEN1 | |
| SCHEMBL29227428 | 0.86 | PTGS2 (0.64) | PTGS2PTGS1ADORA1TOP1FEN1 | |
| Phosphine SCHEMBL29108837 | 0.86 | PTGS2 (0.64) | PTGS2PTGS1ADORA1TOP1FEN1 | |
| SCHEMBL3344343 | 0.86 | PTGS2 (0.64) | PTGS2PTGS1ADORA1TOP1FEN1 | |
| SCHEMBL30021842 | 0.86 | PTGS2 (0.64) | PTGS2PTGS1ADORA1TOP1FEN1 | |
| Ammonia Solution, Strong SCHEMBL20599554 | 0.86 | PTGS2 (0.64) | PTGS2PTGS1ADORA1TOP1FEN1 | |
| SCHEMBL18448246 | 0.86 | ADORA1 (0.46) | PTGS2PTGS1ADORA1TOP1FEN1 |
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-113200978-B | Isothia (selenium) azolone derivative and application thereof in anti-coronavirus drugs | 中国海洋大学 | 2022-09-16 | — | — | CN | disclosed |