Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.40 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 2/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | HRH2 | P25021 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2934468 | 0.89 | BACE2 (0.39) | BACE1BACE2PDE4APDE4BPDE4C | |
| SCHEMBL2931165 | 0.82 | BACE1 (0.46) | BACE1BACE2PDE4APDE4BPDE4C | |
| SCHEMBL5502305 | 0.79 | BACE1 (0.37) | BACE1BACE2PDE4APDE4BPDE4C | |
| SCHEMBL5508311 | 0.79 | BACE1 (0.38) | BACE1BACE2PDE4APDE4BPDE4C | |
| SCHEMBL2932672 | 0.74 | BACE2 (0.41) | BACE1BACE2PDE4APDE4BPDE4C | |
| SCHEMBL2931880 | 0.71 | MGLL (0.39) | BACE1BACE2SMN1; SMN2 | |
| SCHEMBL2933361 | 0.71 | BACE2 (0.36) | BACE1BACE2PDE4APDE4BPDE4C | |
| SCHEMBL2925508 | 0.71 | BACE1 (0.53) | BACE1BACE2PDE4APDE4BPDE4C | |
| SCHEMBL2930482 | 0.70 | BACE2 (0.35) | BACE1BACE2PDE4APDE4BPDE4C | |
| SCHEMBL2932806 | 0.66 | BACE1 (0.49) | BACE1BACE2PDE4APDE4BPDE4C |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1776349-A2 | 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-04-25 | — | — | EP | disclosed |
| EP-1776350-A1 | NOVEL 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF ß-SECRETASE ( BACE ) | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-04-25 | — | — | EP | disclosed |
| WO-2006017844-A1 | NOVEL 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) | JANSSEN PHARMACEUTICA, N.V. (BE) | 2006-02-16 | — | — | WO | disclosed |
| WO-2006017836-A2 | 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) | JANSSEN PHARMACEUTICA, N.V. (BE) | 2006-02-16 | — | — | WO | disclosed |