Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.65 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | SCN4A | P35499 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 1/20 | 0.42 |
| ▸ | PDE1A | P54750 | 1/20 | 0.41 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.41 |
| ▸ | NPBWR1 | P48145 | 2/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | NT5E | P21589 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 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 | |
|---|---|---|---|---|
| SCHEMBL30586443 | 1.00 | BACE1 (0.65) | BACE1HRH3KDM4EEPHX2SCN4A | |
| SCHEMBL21849174 | 0.87 | BACE1 (0.50) | BACE1HRH3KDM4EPDE10ANT5E | |
| SCHEMBL13356605 | 0.82 | BACE1 (0.62) | BACE1HRH3KDM4EEPHX2SCN4A | |
| SCHEMBL5833184 | 0.80 | BACE1 (0.55) | BACE1KDM4ENT5EDYRK1B | |
| SCHEMBL15472863 | 0.78 | PLAU (0.57) | BACE1HRH3KDM4ENT5EKCNH2 | |
| SCHEMBL2117037 | 0.78 | NT5E (0.57) | BACE1KDM4ENT5EALDH1A1MAPT | |
| SCHEMBL9187764 | 0.78 | ESR2 (0.50) | BACE1KDM4EPDE10ANT5EESR1 | |
| SCHEMBL13347730 | 0.78 | CYP1A2 (0.57) | BACE1KDM4EALDH1A1LMNAMAPT | |
| SCHEMBL30106734 | 0.78 | CYP1A2 (0.57) | BACE1KDM4EALDH1A1LMNAMAPT | |
| SCHEMBL30106726 | 0.78 | NT5E (0.45) | BACE1HRH3KDM4ENT5EALDH1A1 |
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-0049776-B1 | 4-QUINOLINE METHANE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE PREPARATION OF SUBSTANCES WITH A PHARMACOLOGICAL ACTIVITY | BASF Aktiengesellschaft (DE) | 1985-07-31 | — | — | EP | disclosed |
| EP-0049776-A2 | 4-Quinoline methane derivatives, their preparation and their use in the preparation of substances with a pharmacological activity | BASF Aktiengesellschaft (DE) | 1982-04-21 | — | — | EP | disclosed |