Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 5/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 5/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 5/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL16974437 | 0.79 | ADRA2A (0.61) | CYP1A2ALDH1A1CYP2C9CYP2C19AOC3 | |
| SCHEMBL31127390 | 0.79 | ALDH1A1 (0.54) | CYP1A2ALDH1A1CYP2C9CYP2C19AOC3 | |
| SCHEMBL2524557 | 0.79 | ALDH1A1 (0.54) | CYP1A2ALDH1A1CYP2C9CYP2C19AOC3 | |
| SCHEMBL10416031 | 0.78 | ALDH1A1 (0.52) | CYP1A2ALDH1A1CYP2C9CYP2C19AOC3 | |
| SCHEMBL9066103 | 0.78 | ALDH1A1 (0.52) | CYP1A2ALDH1A1CYP2C9CYP2C19AOC3 | |
| SCHEMBL17789903 | 0.77 | AOC3 (0.47) | CYP1A2ALDH1A1CYP2C9CYP2C19AOC3 | |
| SCHEMBL2333290 | 0.77 | ALDH1A1 (0.56) | CYP1A2ALDH1A1CYP2C9CYP2C19AOC3 | |
| SCHEMBL29774251 | 0.77 | ALDH1A1 (0.56) | CYP1A2ALDH1A1CYP2C9CYP2C19AOC3 | |
| SCHEMBL1538545 | 0.76 | ALDH1A1 (0.60) | CYP1A2ALDH1A1CYP2C9CYP2C19AOC3 | |
| SCHEMBL20957507 | 0.76 | ALDH1A1 (0.61) | CYP1A2ALDH1A1CYP2C9CYP2C19AOC3 |
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-0087326-B1 | SUBSTITUTED PYRIMIDIN-2-ONES AND THE SALTS THEREOF | NYCOMED AS (NO) | 1987-05-13 | — | — | EP | disclosed |
| US-4539324-A | ANTICANCER AGENTS | NYEGAARD & CO. A/S (NO) | 1985-09-03 | — | — | US | disclosed |
| EP-0087326-A1 | Substituted pyrimidin-2-ones and the salts thereof | NYCOMED AS (NO) | 1983-08-31 | — | — | EP | disclosed |