Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.42 |
| ▸ | ACP3 | P15309 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8568663 | 1.00 | CYP2C19 (0.48) | CYP2C19CYP1A2CYP2C9ALDH1A1KMT2A | |
| SCHEMBL8566660 | 1.00 | CYP2C19 (0.48) | CYP2C19CYP1A2CYP2C9ALDH1A1KMT2A | |
| SCHEMBL30861790 | 0.85 | ALDH1A1 (0.62) | CYP2C19CYP1A2CYP2C9ALDH1A1KMT2A | |
| SCHEMBL19514728 | 0.85 | ALDH1A1 (0.62) | CYP2C19CYP1A2CYP2C9ALDH1A1KMT2A | |
| SCHEMBL9950214 | 0.85 | ALDH1A1 (0.62) | CYP2C19CYP1A2CYP2C9ALDH1A1KMT2A | |
| SCHEMBL9950211 | 0.85 | ALDH1A1 (0.62) | CYP2C19CYP1A2CYP2C9ALDH1A1KMT2A | |
| SCHEMBL11739505 | 0.83 | CYP1A2 (0.47) | CYP2C19CYP1A2CYP2C9ALDH1A1KMT2A | |
| SCHEMBL2894539 | 0.80 | CYP2C19 (0.52) | CYP2C19CYP1A2CYP2C9ALDH1A1KMT2A | |
| SCHEMBL29697536 | 0.80 | CYP2C19 (0.52) | CYP2C19CYP1A2CYP2C9ALDH1A1KMT2A | |
| SCHEMBL8811520 | 0.80 | CYP2C19 (0.52) | CYP2C19CYP1A2CYP2C9ALDH1A1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0643781-A4 | ELECTROCATALYTIC ASYMMETRIC DIHYDROXYLATION OF OLEFINIC COMPOUNDS. | — | 1995-04-26 | — | — | EP | disclosed |