Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 14/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | HTRA1 | Q92743 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4971037 | 1.00 | CETP (0.37) | CETPKCNH2SCN9AHTRA1CYP1A2 | |
| SCHEMBL3060774 | 0.80 | CETP (0.37) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5010413 | 0.78 | MAPT (0.32) | CETPKCNH2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL758889 | 0.78 | IDO1 (0.35) | CETPKCNH2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4971705 | 0.74 | SLC6A9 (0.40) | CETPKCNH2SCN9A | |
| SCHEMBL758655 | 0.72 | CETP (0.62) | CETPKCNH2 | |
| SCHEMBL758656 | 0.72 | CETP (0.62) | CETPKCNH2 | |
| SCHEMBL758720 | 0.72 | CETP (0.62) | CETPKCNH2 | |
| SCHEMBL762000 | 0.71 | EPHX2 (0.47) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4968561 | 0.71 | SLC6A9 (0.40) | CETPKCNH2 |
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-1954668-A2 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | Brystol-Myers Squibb Company (US) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007062308-A2 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | WO | disclosed |