Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.88 |
| ▸ | RELA | Q04206 | 1/20 | 0.65 |
| ▸ | CA1 | P00915 | 3/20 | 0.65 |
| ▸ | CA2 | P00918 | 3/20 | 0.65 |
| ▸ | CA7 | P43166 | 2/20 | 0.65 |
| ▸ | CA9 | Q16790 | 2/20 | 0.65 |
| ▸ | CA12 | O43570 | 1/20 | 0.65 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.65 |
| ▸ | CA4 | P22748 | 1/20 | 0.63 |
| ▸ | LTA4H | P09960 | 2/20 | 0.59 |
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL5205324 | 0.95 | ACHE (0.79) | ACHERELACA1CA2CA7 | |
| SCHEMBL12464 | 0.94 | — | — | |
| SCHEMBL19182839 | 0.94 | ACHE (1.00) | ACHERELACA1CA2CA7 | |
| SCHEMBL13925529 | 0.94 | — | — | |
| SCHEMBL7076971 | 0.91 | ACHE (0.94) | ACHERELACA1CA2CA7 | |
| Methoxymethane SCHEMBL20136157 | 0.91 | ACHE (0.94) | ACHERELACA1CA2CA7 | |
| SCHEMBL28860327 | 0.91 | ACHE (0.94) | ACHERELACA1CA2CA7 | |
| Ammonia Solution, Strong SCHEMBL21437378 | 0.91 | ACHE (0.94) | ACHERELACA1CA2CA7 | |
| SCHEMBL29169384 | 0.91 | ACHE (0.94) | ACHERELACA1CA2CA7 | |
| Methyl Alcohol SCHEMBL20136156 | 0.88 | ACHE (0.88) | ACHERELACA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| US-4318783-A | Process for the preparation of optionally substituted benzaldehyde dialkyl acetals | BAYER AKTIENGESELLSCHAFT (DE) | 1982-03-09 | — | — | US | disclosed |