Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.42 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | CHUK | O15111 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | PRKCG | P05129 | 1/20 | 0.36 |
| ▸ | PRKCB | P05771 | 1/20 | 0.36 |
| ▸ | PRKCA | P17252 | 1/20 | 0.36 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.36 |
| ▸ | PRKCH | P24723 | 1/20 | 0.36 |
| ▸ | PRKCI | P41743 | 1/20 | 0.36 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21515820 | 0.84 | AOC1 (0.44) | CA12CA1CA2CA9PTGS1 | |
| Hydrochloric Acid SCHEMBL28441332 | 0.82 | AOC1 (0.46) | CA12CA1CA2CA9PTGS1 | |
| SCHEMBL21621161 | 0.76 | AOC1 (0.49) | CA12CA1CA2CA9PTGS1 | |
| SCHEMBL25043755 | 0.74 | PTGS1 (0.43) | CA12CA1CA2CA9PTGS1 | |
| SCHEMBL15881345 | 0.73 | MAPT (0.49) | PTGS1PTGS2MAPT | |
| SCHEMBL19127754 | 0.73 | ALDH1A1 (0.49) | MAPT | |
| SCHEMBL4483021 | 0.72 | AOC1 (0.48) | CA12CA1CA2CA9PTGS1 | |
| SCHEMBL2538708 | 0.72 | CA12 (0.53) | CA12CA1CA2CA9CA14 | |
| SCHEMBL629443 | 0.71 | — | — | |
| SCHEMBL24271124 | 0.71 | CA1 (0.52) | CA12CA1CA2CA9CA14 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3896062-A1 | ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2021-10-20 | — | — | EP | disclosed |