Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | LIPE | Q05469 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.36 |
| ▸ | KCNJ1 | P48048 | 8/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | TPH1 | P17752 | 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 | |
|---|---|---|---|---|
| SCHEMBL1946323 | 0.80 | LIPE (0.56) | CYP3A4CYP2D6CYP2C9CYP2C19LIPE | |
| SCHEMBL1944865 | 0.80 | LIPE (0.56) | CYP3A4CYP2D6CYP2C9CYP2C19LIPE | |
| SCHEMBL1943392 | 0.69 | LIPE (0.52) | LIPEKCNH2KCNJ1GRIN2B | |
| SCHEMBL1943405 | 0.69 | LIPE (0.52) | LIPEKCNH2KCNJ1GRIN2B | |
| SCHEMBL1944403 | 0.65 | LIPE (0.56) | LIPEKCNH2KCNJ1 | |
| SCHEMBL1947265 | 0.65 | LIPE (0.56) | LIPEKCNH2KCNJ1 | |
| SCHEMBL12490771 | 0.61 | LIPE (0.43) | LIPEKCNH2KCNJ1 | |
| SCHEMBL1944235 | 0.61 | LIPE (0.64) | LIPEKCNH2KCNJ1 | |
| SCHEMBL1944523 | 0.59 | LIPE (0.47) | LIPEKCNH2KCNJ1GRIN2B | |
| SCHEMBL5468783 | 0.59 | GRIN2B (0.41) | CYP2D6KCNH2KCNJ1GRIN2B |
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-2507239-B1 | AZACYCLIC SPIRO DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2019-03-13 | — | — | EP | disclosed |