Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL824168 | 0.77 | CA12 (0.49) | CA12CA1CA9CA2CA7 | |
| SCHEMBL6232531 | 0.77 | SMN1; SMN2 (0.50) | CA12CA1CA9CA2CA7 | |
| SCHEMBL4570343 | 0.77 | CA12 (0.49) | CA12CA1CA9CA2CA7 | |
| SCHEMBL827011 | 0.77 | CA12 (0.49) | CA12CA1CA9CA2CA7 | |
| SCHEMBL934860 | 0.77 | SMN1; SMN2 (0.51) | SMN1; SMN2ALDH1A1CYP2D6 | |
| SCHEMBL8923155 | 0.76 | ALDH1A1 (0.50) | CA12CA1CA9CA2CA7 | |
| 1,4-Diallyloxybenzene SCHEMBL302448 | 0.75 | CA12 (0.63) | CA12CA1CA9CA2CA7 | |
| SCHEMBL15096039 | 0.74 | ALDH1A1 (0.42) | CA12CA1CA9CA2CA7 | |
| SCHEMBL18790719 | 0.74 | NPC1 (0.51) | CA12CA1CA9CA2CA7 | |
| 1-Allyloxy-4-Methoxybenzene SCHEMBL2843640 | 0.74 | ALDH1A1 (0.57) | CA12CA1CA9CA2CA7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108473409-B | Benzil monoketal and application thereof | 默克专利股份有限公司 | 2022-01-07 | — | — | CN | disclosed |
| EP-3365318-A1 | BENZIL MONOKETALAND USE THEREOF | Merck Patent GmbH (DE) | 2018-08-29 | — | — | EP | disclosed |