Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 2/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10283224 | 0.93 | CETP (0.44) | CETPCYP4F2CYP4A11CYP2C19 | |
| SCHEMBL13200340 | 0.90 | — | — | |
| SCHEMBL11472880 | 0.86 | CETP (0.42) | CETPCYP4F2CYP4A11 | |
| SCHEMBL11599305 | 0.84 | CETP (0.36) | CETP | |
| SCHEMBL4580987 | 0.81 | CYP2C19 (0.46) | CETPCYP4F2CYP4A11CYP2C19 | |
| SCHEMBL20342461 | 0.80 | CYP2D6 (0.38) | — | |
| SCHEMBL2947241 | 0.80 | CETP (0.46) | CETPCYP4F2CYP4A11CYP2C19 | |
| SCHEMBL17293310 | 0.80 | CETP (0.48) | CETPCYP4F2CYP4A11CYP2C19 | |
| SCHEMBL11428508 | 0.80 | — | — | |
| SCHEMBL1768013 | 0.79 | CETP (0.37) | CETPCYP4F2CYP4A11CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2202216-B1 | SPIRO-RING COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES | JAPAN TOBACCO INC (JP) | 2012-06-27 | — | — | EP | disclosed |