Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | CA1 | P00915 | 6/20 | 0.47 |
| ▸ | CA2 | P00918 | 6/20 | 0.47 |
| ▸ | CA9 | Q16790 | 5/20 | 0.47 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL15054527 | 0.89 | HTR6 (0.50) | PTGS2ALDH1A1CA1CA2CA9 | |
| SCHEMBL23413661 | 0.82 | PTGS2 (0.51) | PTGS2ALDH1A1CA1CA2CA9 | |
| SCHEMBL15055314 | 0.80 | CA2 (0.51) | PTGS2ALDH1A1CA1CA2CA9 | |
| SCHEMBL18247262 | 0.79 | APLNR (0.55) | PTGS2CA1CA2CA9CA12 | |
| SCHEMBL792467 | 0.79 | CA2 (0.73) | PTGS2ALDH1A1CA1CA2CA9 | |
| SCHEMBL30646273 | 0.79 | CA2 (0.73) | PTGS2ALDH1A1CA1CA2CA9 | |
| SCHEMBL669049 | 0.76 | ALDH1A1 (0.52) | PTGS2ALDH1A1CA1CA2CYP1A1 | |
| SCHEMBL113508 | 0.76 | PTGS2 (0.78) | PTGS2ALDH1A1CA1CA2CA9 | |
| SCHEMBL3038765 | 0.76 | ALDH1A1 (0.52) | PTGS2ALDH1A1CYP1A1CYP1B1PKM | |
| SCHEMBL13456401 | 0.76 | SOS1 (0.58) | PTGS2ALDH1A1CA1CA2CA9 |
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-112601734-B | Oximino naphthoquinone compound and preparation method and application thereof | 普济生物科技（台州）有限公司 | 2023-05-23 | — | — | CN | claimed |