Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | FABP3 | P05413 | 1/20 | 0.33 |
| ▸ | FABP4 | P15090 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.31 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.31 |
| ▸ | KDM6B | O15054 | 1/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.30 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.30 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.30 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.30 |
| ▸ | ALB | P02768 | 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 | |
|---|---|---|---|---|
| SCHEMBL6446419 | 0.81 | ACE2 (0.38) | ACE2ALOX5ALDH1A1GRM1PTGES | |
| SCHEMBL6444455 | 0.78 | CXCR5 (0.36) | ACE2ALDH1A1GRM1CYP1A2 | |
| SCHEMBL6447198 | 0.73 | ACE2 (0.38) | ACE2ALDH1A1GRM1FABP3FABP4 | |
| SCHEMBL11216320 | 0.73 | ACE2 (0.39) | ACE2ALDH1A1GRM1FABP3FABP4 | |
| SCHEMBL5695480 | 0.73 | ACE2 (0.39) | ACE2ALDH1A1GRM1FABP3FABP4 | |
| SCHEMBL17797821 | 0.72 | ALDH1A1 (0.38) | ACE2ALDH1A1GRM1FABP3FABP4 | |
| SCHEMBL6445692 | 0.72 | ACE2 (0.39) | ACE2ALDH1A1GRM1FABP3FABP4 | |
| SCHEMBL6444165 | 0.71 | ACE2 (0.38) | ACE2ALDH1A1GRM1FABP3FABP4 | |
| SCHEMBL16295021 | 0.70 | SLC37A4 (0.51) | ALDH1A1 | |
| SCHEMBL6446199 | 0.70 | ACE2 (0.35) | ACE2ALDH1A1GRM1FABP3FABP4 |
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 |