Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL19952551 | 1.00 | ALDH1A1 (0.38) | ALDH1A1TDP1CYP3A4TSHRCYP2D6 | |
| SCHEMBL6470267 | 0.76 | — | — | |
| SCHEMBL24862654 | 0.75 | CYP2C19 (0.36) | CYP3A4TSHRCYP2D6CYP1A2CYP2C9 | |
| SCHEMBL10603903 | 0.75 | ALDH1A1 (0.47) | ALDH1A1TDP1CYP3A4TSHRCYP2D6 | |
| SCHEMBL501831 | 0.69 | ALDH1A1 (0.37) | ALDH1A1TDP1CYP3A4TSHRCYP2D6 | |
| SCHEMBL22039176 | 0.67 | CYP1A2 (0.35) | CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21217022 | 0.67 | CYP1A2 (0.35) | CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL27681550 | 0.67 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4TSHRCYP2D6 | |
| SCHEMBL9333252 | 0.67 | ALDH1A1 (0.58) | ALDH1A1TDP1CYP3A4TSHRCYP2D6 | |
| SCHEMBL28121430 | 0.67 | ALDH1A1 (0.37) | ALDH1A1TDP1CYP3A4TSHRCYP2D6 |
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-2453741-A2 | ADDITIVE MIXTURE FOR THE BACTERICIDAL AND ANTICORROSIVE ADDITIZATION OF FUELS | L'Air Liquide Société Anonyme pour l'Etude et l'Exploitation des Procédés Georges Claude (FR) | 2012-05-23 | — | — | EP | disclosed |
| WO-2011006734-A2 | ADDITIVE MIXTURE FOR THE BACTERICIDAL AND ANTICORROSIVE ADDITIZATION OF FUELS | L'AIR LIQUIDE SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) | 2011-01-20 | — | — | WO | disclosed |