Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCQ | Q04759 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.30 |
| ▸ | ERN1 | O75460 | 1/20 | 0.30 |
| ▸ | CBFB | Q13951 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL1807572 | 0.87 | CYP1A2 (0.32) | PARP1CYP1A2CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL1807315 | 0.81 | ALDH1A1 (0.38) | ERN1ALDH1A1 | |
| SCHEMBL1807207 | 0.79 | ERN1 (0.34) | PRKCQNFE2L2ERN1 | |
| SCHEMBL1807759 | 0.77 | TDP2 (0.42) | ALDH1A1 | |
| SCHEMBL1803979 | 0.74 | TDP2 (0.43) | CYP3A4 | |
| SCHEMBL1807044 | 0.74 | CYP1A2 (0.36) | BTKERN1CYP1A2CYP3A4CYP2C8 | |
| SCHEMBL1808444 | 0.69 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL1806658 | 0.69 | MAPK1 (0.33) | PRKCQALDH1A1 | |
| SCHEMBL22912511 | 0.69 | NPC1 (0.40) | NFE2L2ALDH1A1 | |
| SCHEMBL1806295 | 0.67 | CA12 (0.35) | PARP1ALDH1A1 |
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-2501703-A1 | SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS | Eli Lilly and Company (US) | 2012-09-26 | — | — | EP | disclosed |
| WO-2011060035-A1 | SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2011-05-19 | — | — | WO | disclosed |