Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ALPI | P09923 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ALPG | P10696 | 1/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL9140145 | 0.84 | CA2 (0.55) | ALDH1A1TDP1CA12CA1CA2 | |
| Toluene SCHEMBL29070775 | 0.83 | ALDH1A1 (0.52) | ALDH1A1TDP1KDM4EPOLBL3MBTL1 | |
| Phenol SCHEMBL28106942 | 0.83 | ALDH1A1 (0.52) | ALDH1A1TDP1CA12CA1CA2 | |
| Phenol SCHEMBL29151022 | 0.82 | CA2 (0.52) | ALDH1A1TDP1CA12CA1CA2 | |
| Phenol SCHEMBL9121418 | 0.80 | TDP1 (0.50) | ALDH1A1TDP1CA12CA1CA2 | |
| Phenol SCHEMBL17729895 | 0.79 | TDP1 (0.55) | ALDH1A1TDP1CA12CA1CA2 | |
| Phenol SCHEMBL9422361 | 0.79 | TDP1 (0.55) | ALDH1A1TDP1CA12CA1CA2 | |
| Phenol SCHEMBL10454590 | 0.79 | GLA (0.55) | ALDH1A1TDP1CA12CA1CA2 | |
| Phthalic Acid SCHEMBL11862919 | 0.79 | ALDH1A1 (0.56) | ALDH1A1TDP1CA12CA1CA2 | |
| SCHEMBL8773657 | 0.79 | ALDH1A1 (0.59) | ALDH1A1TDP1KDM4EPOLBL3MBTL1 |
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-2009118755-A2 | PROCESS FOR THE PREPARATION OF 4-(4-HYDROXYPHENYL)BUTAN-2-ONE USING SOLID ACID CLAY CATALYST | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2009-10-01 | — | — | WO | disclosed |