Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24863725 | 0.85 | ROCK2 (0.51) | ROCK2ROCK1MEN1KMT2AKLKB1 | |
| SCHEMBL29788849 | 0.84 | NPSR1 (0.43) | CYP1A2CYP2C9CYP2C19ROCK2ROCK1 | |
| SCHEMBL4411829 | 0.77 | RXRA (0.44) | GAAALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL4403264 | 0.76 | L3MBTL1 (0.40) | CYP1A2CYP2C19TDP1ALDH1A1POLB | |
| SCHEMBL24863415 | 0.73 | ROCK2 (0.49) | ROCK2ROCK1KLKB1 | |
| SCHEMBL24029373 | 0.73 | LMNA (0.35) | CYP1A2CYP2C9CYP2C19RORCTDP1 | |
| SCHEMBL20946425 | 0.73 | AOC3 (0.47) | CYP1A2CYP2C19TDP1MEN1GAA | |
| SCHEMBL14232838 | 0.72 | NPSR1 (0.53) | CYP1A2CYP2C9CYP2C19ROCK2ROCK1 | |
| SCHEMBL24240291 | 0.71 | L3MBTL1 (0.47) | CYP1A2CYP2C19TDP1MEN1GAA | |
| SCHEMBL17527769 | 0.71 | L3MBTL1 (0.48) | CYP1A2CYP2C19TDP1MEN1GAA |
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-3452477-B1 | ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | B C I PHARMA (BE) | 2023-09-13 | — | — | EP | disclosed |