Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | TDO2 | P48775 | 2/20 | 0.35 |
| ▸ | CETP | P11597 | 12/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.32 |
| ▸ | DPP4 | P27487 | 2/20 | 0.32 |
| ▸ | TACR1 | P25103 | 3/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14533766 | 0.80 | IDO1 (0.33) | IDO1TDO2CETP | |
| SCHEMBL5010413 | 0.79 | MAPT (0.32) | CETPKCNH2TACR1CYP1A2CYP3A4 | |
| SCHEMBL4971996 | 0.78 | CETP (0.37) | CETPKCNH2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4971037 | 0.78 | CETP (0.37) | CETPKCNH2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13144347 | 0.76 | CETP (0.38) | CETPKCNH2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16315784 | 0.74 | TSHR (0.39) | CETPKCNH2 | |
| SCHEMBL3060774 | 0.72 | CETP (0.37) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12868130 | 0.69 | CETP (0.36) | CETPKCNH2 | |
| SCHEMBL12710497 | 0.68 | CETP (0.39) | IDO1TDO2CETP | |
| SCHEMBL760632 | 0.67 | CETP (0.48) | CETPKCNH2CYP1A2CYP3A4CYP2D6 |
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-B9 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-03-21 | — | — | EP | disclosed |
| EP-1954668-B1 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-09-28 | — | — | EP | disclosed |