Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | SELL | P14151 | 1/20 | 0.38 |
| ▸ | SELP | P16109 | 1/20 | 0.38 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | HAAO | P46952 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 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 | |
|---|---|---|---|---|
| SCHEMBL28798325 | 0.86 | ALDH1A1 (0.48) | ALDH1A1ALOX15MAPTHDAC8TSHR | |
| SCHEMBL6444165 | 0.82 | ACE2 (0.38) | CYP1A2ALDH1A1ALOX15MAPTHDAC8 | |
| SCHEMBL1950385 | 0.80 | CYP1A2 (0.50) | CYP1A2ALDH1A1ALOX15MAPTHDAC8 | |
| SCHEMBL728753 | 0.78 | CYP1A2 (0.48) | CYP1A2ALDH1A1ALOX15MAPTHDAC8 | |
| SCHEMBL17797891 | 0.73 | ALDH1A1 (0.46) | CYP1A2ALDH1A1ALOX15MAPTHDAC8 | |
| SCHEMBL28238364 | 0.73 | CYP1A2 (0.42) | CYP1A2ALDH1A1ALOX15MAPTHDAC8 | |
| SCHEMBL6448117 | 0.73 | CYP1A2 (0.42) | CYP1A2ALDH1A1ALOX15MAPTACE2 | |
| SCHEMBL15123952 | 0.73 | CYP1A2 (0.42) | CYP1A2ALDH1A1ALOX15SELLSELP | |
| SCHEMBL3389839 | 0.71 | ALDH1A1 (0.52) | ALDH1A1ALOX15MAPTHDAC8TSHR | |
| SCHEMBL6838116 | 0.71 | SELL (0.48) | CYP1A2ALDH1A1ALOX15MAPTSELL |
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 |
|---|---|---|---|---|---|---|---|
| EP-1194396-B1 | SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS | BASF AG (DE) | 2005-11-09 | — | — | EP | claimed |
| EP-1194396-B1 | SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS | BASF AG (DE) | 2005-11-09 | — | — | EP | disclosed |