Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 4/20 | 0.41 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3154545 | 0.86 | EPHX1 (0.38) | CYP2D6SRCCES2CES1ALDH1A1 | |
| SCHEMBL2529459 | 0.83 | CYP2D6 (0.45) | PPARGPPARACYP2D6SRCLMNA | |
| SCHEMBL17724521 | 0.83 | CYP2D6 (0.45) | PPARGPPARACYP2D6SRCLMNA | |
| Hydrochloric Acid SCHEMBL2530813 | 0.81 | CYP2D6 (0.43) | PPARGPPARACYP2D6SRCLMNA | |
| SCHEMBL14936169 | 0.76 | CYP2D6 (0.45) | PPARGPPARACYP2D6SRCLMNA | |
| SCHEMBL21858502 | 0.76 | CYP2D6 (0.45) | PPARGPPARACYP2D6SRCLMNA | |
| SCHEMBL8080541 | 0.76 | CYP2D6 (0.45) | PPARGPPARACYP2D6SRCLMNA | |
| SCHEMBL22159629 | 0.73 | SRC (0.46) | PPARGPPARACYP2D6SRCLMNA | |
| SCHEMBL4591292 | 0.73 | ALDH1A1 (0.42) | PPARGPPARACYP2D6SRCLMNA | |
| SCHEMBL11462913 | 0.72 | SRC (0.50) | PPARGPPARACYP2D6SRCLMNA |
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 |