Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | MPO | P05164 | 1/20 | 0.30 |
| ▸ | ATR | Q13535 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL1902302 | 0.83 | IDO1 (0.40) | IDO1FFAR4ADORA2AATRHTR1A | |
| SCHEMBL17146170 | 0.80 | MEN1 (0.31) | IDO1FFAR4 | |
| SCHEMBL9726223 | 0.77 | FFAR4 (0.36) | IDO1FFAR4ADORA2AATRHTR1A | |
| SCHEMBL977744 | 0.77 | ALOX5 (0.41) | FFAR4ATR | |
| SCHEMBL8884156 | 0.76 | IDO1 (0.37) | IDO1FFAR4ADORA2AATRHTR1A | |
| Hydrochloric Acid SCHEMBL9235440 | 0.76 | ALOX5 (0.41) | FFAR4ATR | |
| SCHEMBL10687705 | 0.76 | FFAR4 (0.36) | IDO1FFAR4ADORA2AATRHTR1A | |
| SCHEMBL4764043 | 0.76 | PARP1 (0.44) | FFAR4ATR | |
| SCHEMBL1256244 | 0.76 | ALOX15 (0.40) | IDO1FFAR4ADORA2AATRHTR1A | |
| SCHEMBL22886590 | 0.76 | TRPA1 (0.47) | ADORA2A |
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 |