Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.35 |
| ▸ | TTR | P02766 | 3/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL758072 | 0.81 | ADRB1 (0.46) | ALDH1A1CA1CA2SLC6A3CYP3A4 | |
| SCHEMBL29375872 | 0.81 | ADRB1 (0.46) | ALDH1A1CA1CA2SLC6A3CYP3A4 | |
| SCHEMBL4083168 | 0.80 | IDO1 (0.37) | SLC6A3CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL21241741 | 0.79 | PTGS1 (0.41) | ALDH1A1CA1CA2PTGS1PTGS2 | |
| SCHEMBL12157016 | 0.79 | PTGS1 (0.48) | ALDH1A1CA1CA2PTGS1PTGS2 | |
| SCHEMBL2026462 | 0.79 | PTGS1 (0.48) | ALDH1A1CA1CA2PTGS1PTGS2 | |
| SCHEMBL14493513 | 0.79 | ESR2 (0.42) | ALDH1A1CA1CA2PTGS1PTGS2 | |
| SCHEMBL12323550 | 0.79 | ALDH1A1 (0.41) | ALDH1A1CA1CA2PTGS1PTGS2 | |
| SCHEMBL673321 | 0.78 | CA1 (0.55) | ALDH1A1CA1CA2PTGS1PTGS2 | |
| SCHEMBL23627377 | 0.77 | TTR (0.44) | ALDH1A1CA1CA2PTGS1PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020040161-A1 | COMPOUND, COMPOSITION CONTAINING SAME, METHOD FOR FORMING RESIST PATTERN, AND METHOD FOR FORMING INSULATING FILM | 三菱瓦斯化学株式会社 | 2020-02-27 | — | — | WO | disclosed |