Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL18741777 | 0.76 | ALDH1A1 (0.36) | ALDH1A1CA2MAPK1 | |
| SCHEMBL9134033 | 0.76 | LMNA (0.32) | OPRM1CYP2D6 | |
| SCHEMBL3246454 | 0.74 | — | — | |
| SCHEMBL6013921 | 0.65 | ALDH1A1 (0.37) | ALDH1A1CA2MAPK1CA1 | |
| SCHEMBL24920034 | 0.64 | LMNA (0.41) | ALDH1A1CYP2D6 | |
| SCHEMBL7756399 | 0.64 | OPRM1 (0.33) | ALDH1A1SLC6A4OPRM1SLC6A3 | |
| SCHEMBL12312458 | 0.63 | EPHX1 (0.35) | — | |
| SCHEMBL24826250 | 0.63 | CHRM2 (0.31) | ALDH1A1CHRM2HTR1AADRA2AADORA3 | |
| SCHEMBL9242887 | 0.63 | GPR84 (0.35) | CYP2D6 | |
| SCHEMBL8757227 | 0.61 | — | — |
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-0197766-B1 | Catalytic asymmetric epoxidation | MASSACHUSETTS INST TECHNOLOGY (US) | 1996-07-24 | — | — | EP | disclosed |
| EP-0197766-A2 | Catalytic asymmetric epoxidation | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1986-10-15 | — | — | EP | disclosed |