Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.40 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11110867 | 0.98 | ALDH1A1 (0.46) | ALDH1A1HPGDCYP2C19POLBCYP2C9 | |
| SCHEMBL11110869 | 0.98 | ALDH1A1 (0.46) | ALDH1A1HPGDCYP2C19POLBCYP2C9 | |
| Methyl Alcohol SCHEMBL8740660 | 0.86 | CYP2C19 (0.54) | ALDH1A1HPGDCYP2C19POLBCYP2C9 | |
| Methyl Alcohol SCHEMBL8740648 | 0.86 | CYP2C19 (0.54) | ALDH1A1HPGDCYP2C19POLBCYP2C9 | |
| SCHEMBL2551111 | 0.84 | CYP2C19 (0.55) | ALDH1A1HPGDCYP2C19POLBCYP2C9 | |
| SCHEMBL7186932 | 0.84 | CYP2C19 (0.55) | ALDH1A1HPGDCYP2C19POLBCYP2C9 | |
| SCHEMBL1881512 | 0.84 | CYP2C19 (0.55) | ALDH1A1HPGDCYP2C19POLBCYP2C9 | |
| SCHEMBL29092108 | 0.84 | ALDH1A1 (0.52) | ALDH1A1HPGDCYP2C19POLBCYP2C9 | |
| SCHEMBL17846993 | 0.79 | BRD9 (0.41) | ALDH1A1CYP2C19POLBCYP2C9CA1 | |
| SCHEMBL17846995 | 0.79 | BRD9 (0.41) | ALDH1A1CYP2C19POLBCYP2C9CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0746410-A4 | WATER-SOLUBLE CHIRAL SULFONATED BINAP CATALYST FOR ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE COMPOUNDS | CALIFORNIA INST OF TECHN (US) | 1997-04-09 | — | — | EP | disclosed |
| EP-0746410-A1 | WATER-SOLUBLE CHIRAL SULFONATED BINAP CATALYST FOR ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE COMPOUNDS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1996-12-11 | — | — | EP | disclosed |
| WO-1995022405-A1 | WATER-SOLUBLE CHIRAL SULFONATED BINAP CATALYST FOR ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE COMPOUNDS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1995-08-24 | — | — | WO | disclosed |