Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21533082 | 0.83 | MEN1 (0.36) | BCHEACHEALDH1A1LMNACYP1A2 | |
| SCHEMBL8559782 | 0.81 | TDO2 (0.38) | ALDH1A1CYP3A4LMNACYP1A2CYP2C9 | |
| SCHEMBL11416663 | 0.77 | MEN1 (0.36) | ALDH1A1MAPTHPGD | |
| SCHEMBL11412655 | 0.76 | METAP1 (0.40) | — | |
| SCHEMBL4213119 | 0.74 | MAOB (0.39) | ALDH1A1MAPT | |
| SCHEMBL463373 | 0.73 | APEX1 (0.39) | ALDH1A1CYP1A2MAPT | |
| SCHEMBL6474398 | 0.71 | CYP19A1 (0.44) | CYP3A4LMNACYP1A2CYP2C9TP53 | |
| SCHEMBL11817385 | 0.71 | BCHE (0.37) | BCHEACHEALDH1A1CYP3A4GRM2 | |
| SCHEMBL11411069 | 0.71 | POLB (0.40) | ACHEALDH1A1 | |
| SCHEMBL9482199 | 0.70 | PTPRC (0.35) | ALDH1A1CYP1A2TP53RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0498722-B1 | Bicyclic nitrogen compounds, their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them | ROUSSEL UCLAF (FR) | 1997-07-30 | — | — | EP | claimed |
| EP-0498722-B1 | Bicyclic nitrogen compounds, their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them | ROUSSEL UCLAF (FR) | 1997-07-30 | — | — | EP | disclosed |