Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 5/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4039738 | 0.84 | CYP2C9 (0.55) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6678070 | 0.80 | PDE4A (0.44) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6634514 | 0.78 | PDE4A (0.44) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6633782 | 0.78 | PDE4A (0.44) | ALDH1A1L3MBTL1KMT2AMEN1NPSR1 | |
| SCHEMBL6607572 | 0.77 | PDE4A (0.49) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6608672 | 0.77 | PDE4A (0.49) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6220727 | 0.76 | PDE4A (0.44) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6220028 | 0.76 | PDE4A (0.45) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6219992 | 0.75 | CYP2C9 (0.52) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6218820 | 0.75 | CYP2C9 (0.47) | CYP2C9PDE4APDE4BPDE4CPDE4D |
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-1487797-A1 | HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS | Merck Frosst Canada & Co. (CA) | 2004-12-22 | — | — | EP | disclosed |
| WO-2003078397-A1 | HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-09-25 | — | — | WO | disclosed |