Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11806986 | 0.84 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C9CYP2C19ALOX5 | |
| SCHEMBL7194309 | 0.82 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19ALOX5 | |
| SCHEMBL30692103 | 0.82 | CYP1A2 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19ALOX5 | |
| SCHEMBL615615 | 0.82 | CYP1A2 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19ALOX5 | |
| SCHEMBL7388122 | 0.82 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19ALOX5 | |
| SCHEMBL335062 | 0.78 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL128713 | 0.78 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL21538667 | 0.78 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL353568 | 0.78 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL29372643 | 0.78 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A |
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-1021405-B1 | AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HCMV INFECTIONS | BOEHRINGER INGELHEIM CA LTD (CA) | 2002-09-25 | — | — | EP | claimed |