Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 11/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 7/20 | 0.47 |
| ▸ | CETP | P11597 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3060774 | 0.79 | CETP (0.37) | EPHX2CETPCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14244157 | 0.78 | CETP (0.47) | EPHX2EPHX1CETPLMNA | |
| SCHEMBL761499 | 0.74 | CETP (0.71) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3061359 | 0.74 | CETP (0.71) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL761498 | 0.74 | CETP (0.71) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL760548 | 0.73 | CETP (0.42) | EPHX2EPHX1CETPLMNA | |
| SCHEMBL4971037 | 0.71 | CETP (0.37) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4971996 | 0.71 | CETP (0.37) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1182969 | 0.71 | CETP (0.56) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4973254 | 0.70 | CETP (0.42) | EPHX1CETPLMNA |
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 |