Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA4 | P22748 | 3/20 | 0.39 |
| ▸ | CA6 | P23280 | 3/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | NQO2 | P16083 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL11169920 | 0.82 | MEN1 (0.43) | ACHEPTGS2MAPTCYP3A4CA1 | |
| SCHEMBL29767835 | 0.80 | ALOX5 (0.44) | ACHEPTGS2CA1CA2CA4 | |
| SCHEMBL23534440 | 0.80 | ALOX5 (0.44) | ACHEPTGS2CA1CA2CA4 | |
| SCHEMBL28596719 | 0.80 | ACHE (0.45) | ACHEPTGS2MAPTCYP3A4CA9 | |
| SCHEMBL4464522 | 0.80 | ACHE (0.45) | ACHEPTGS2MAPTCYP3A4CA9 | |
| SCHEMBL6315395 | 0.78 | ACHE (0.39) | ACHEPTGS2MAPTCYP3A4CA9 | |
| SCHEMBL28472733 | 0.78 | ALOX5 (0.45) | ACHEPTGS2MAPTCYP3A4CA9 | |
| SCHEMBL1243920 | 0.73 | ACHE (0.56) | ACHEPTGS2MAPTCYP3A4CA9 | |
| SCHEMBL30835564 | 0.73 | ACHE (0.56) | ACHEPTGS2MAPTCYP3A4CA9 | |
| SCHEMBL28479363 | 0.73 | ALOX5 (0.48) | ACHEPTGS2MAPTCYP3A4ALDH1A1 |
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-2021039929-A1 | IONIC METAL COMPLEX, ANION DETECTING AGENT, ANION DETECTION METHOD AND AROMATIC COMPOUND | 国立大学法人静岡大学 | 2021-03-04 | — | — | WO | disclosed |