Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | STAT1 | P42224 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29675790 | 0.87 | MTNR1A (0.50) | ALDH1A1MAPK1NPC1HPGDSMN1; SMN2 | |
| SCHEMBL29675690 | 0.82 | ALDH1A1 (0.51) | ALDH1A1MAPK1NPC1SMN1; SMN2LMNA | |
| SCHEMBL14519898 | 0.82 | ALDH1A1 (0.51) | ALDH1A1MAPK1NPC1SMN1; SMN2LMNA | |
| SCHEMBL5743082 | 0.82 | ALDH1A1 (0.48) | ALDH1A1MAPK1NPC1SMN1; SMN2LMNA | |
| SCHEMBL5306970 | 0.81 | CYP1A2 (0.72) | CYP1A2CYP3A4RECQLALDH1A1MAPK1 | |
| SCHEMBL20720156 | 0.79 | ALDH1A1 (0.42) | ALDH1A1MAPK1NPC1KIF11SMN1; SMN2 | |
| SCHEMBL30226117 | 0.79 | ALDH1A1 (0.42) | ALDH1A1MAPK1NPC1KIF11SMN1; SMN2 | |
| SCHEMBL20720155 | 0.79 | ALDH1A1 (0.42) | ALDH1A1MAPK1NPC1KIF11SMN1; SMN2 | |
| SCHEMBL5306975 | 0.78 | NPC1 (0.45) | CYP1A2CYP3A4RECQLALDH1A1MAPK1 | |
| Fumaric Acid SCHEMBL8866014 | 0.76 | CYP1A2 (0.65) | CYP1A2CYP3A4RECQLALDH1A1MAPK1 |
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-3365334-B1 | BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS | OTSUKA PHARMA CO LTD (JP) | 2024-07-17 | — | — | EP | disclosed |