Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | FABP3 | P05413 | 1/20 | 0.35 |
| ▸ | FABP4 | P15090 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | LDHA | P00338 | 2/20 | 0.31 |
| ▸ | LDHB | P07195 | 2/20 | 0.31 |
| ▸ | ALB | P02768 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.31 |
| ▸ | SELL | P14151 | 1/20 | 0.31 |
| ▸ | SELP | P16109 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CDC25A | P30304 | 1/20 | 0.30 |
| ▸ | CDC25B | P30305 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6444147 | 0.82 | CYP1A2 (0.46) | ACE2ALDH1A1GRM1CYP1A2HDAC8 | |
| SCHEMBL5695480 | 0.76 | ACE2 (0.39) | ACE2ALDH1A1GRM1CYP1A2FABP3 | |
| SCHEMBL11216320 | 0.76 | ACE2 (0.39) | ACE2ALDH1A1GRM1CYP1A2FABP3 | |
| SCHEMBL6444223 | 0.76 | ACE2 (0.36) | ACE2ALDH1A1GRM1CYP1A2FABP3 | |
| SCHEMBL28798325 | 0.75 | ALDH1A1 (0.48) | ALDH1A1HDAC8ALOX15ALBMAPT | |
| SCHEMBL6446199 | 0.73 | ACE2 (0.35) | ACE2ALDH1A1GRM1CYP1A2FABP3 | |
| SCHEMBL17797821 | 0.72 | ALDH1A1 (0.38) | ACE2ALDH1A1GRM1CYP1A2FABP3 | |
| SCHEMBL6445692 | 0.72 | ACE2 (0.39) | ACE2ALDH1A1GRM1CYP1A2FABP3 | |
| SCHEMBL6446419 | 0.71 | ACE2 (0.38) | ACE2ALDH1A1GRM1CYP1A2FABP3 | |
| SCHEMBL6132208 | 0.71 | ACE2 (0.36) | ACE2ALDH1A1GRM1CYP1A2FABP3 |
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 |