Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 3/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.37 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 7/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4968308 | 0.76 | NPSR1 (0.44) | TAS1R3TAS1R1SLC6A9 | |
| SCHEMBL758282 | 0.70 | CETP (0.68) | CETP | |
| SCHEMBL4968931 | 0.70 | TACR1 (0.38) | CETPTACR1 | |
| SCHEMBL15457019 | 0.69 | CETP (0.59) | CETPTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL4448618 | 0.69 | TAS1R3 (0.46) | TAS1R3TAS1R1TAS1R2HDAC8 | |
| SCHEMBL4971705 | 0.67 | SLC6A9 (0.40) | CETPSLC6A9TACR1 | |
| SCHEMBL4968815 | 0.67 | CETP (0.55) | CETPSLC6A9TACR1 | |
| SCHEMBL13761391 | 0.67 | HDAC8 (0.46) | TAS1R3TAS1R1TAS1R2HDAC8TRPM8 | |
| SCHEMBL13753375 | 0.67 | NPSR1 (0.57) | TAS1R3TAS1R1TAS1R2HDAC8 | |
| SCHEMBL759720 | 0.67 | CETP (0.68) | CETP |
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 |