Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 10/20 | 0.38 |
| ▸ | CETP | P11597 | 3/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.33 |
| ▸ | KCNQ1 | P51787 | 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 | |
|---|---|---|---|---|
| SCHEMBL756565 | 0.75 | CETP (0.45) | CETPKCNH2PDGFRB | |
| SCHEMBL4968996 | 0.75 | KMT2A (0.47) | CETPTACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4966761 | 0.73 | CETP (0.47) | CETP | |
| SCHEMBL4640356 | 0.73 | NOS3 (0.39) | KIF11CETP | |
| SCHEMBL10202789 | 0.73 | CETP (0.47) | CETPKCNH2 | |
| SCHEMBL4639184 | 0.73 | CETP (0.52) | CETPKCNH2 | |
| SCHEMBL4639666 | 0.72 | TACR1 (0.35) | KIF11CETPTAAR1TACR1CYP3A4 | |
| SCHEMBL22509269 | 0.71 | KCNN4 (0.50) | KIF11TAAR1KCNH2ALDH1A1KCNN4 | |
| SCHEMBL4639357 | 0.71 | ALOX5 (0.37) | KIF11CETPTACR1 | |
| SCHEMBL2699647 | 0.69 | CES2 (0.52) | IDO1TSHR |
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 |