Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 7/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | HAO2 | Q9NYQ3 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1809017 | 0.84 | HCAR2 (0.40) | HCAR2CA12ALPLCA9 | |
| SCHEMBL1805098 | 0.74 | PDE4D (0.33) | HCAR2CA12ALPLCA9 | |
| SCHEMBL1806510 | 0.69 | PDE4D (0.35) | HCAR2CA12ALPLCA9 | |
| SCHEMBL12109792 | 0.69 | CYP3A4 (0.34) | — | |
| SCHEMBL1809879 | 0.66 | XDH (0.34) | HCAR2CA12ALPLCA9 | |
| SCHEMBL1807105 | 0.66 | PRKCE (0.39) | HCAR2CA12ALPLCA9 | |
| SCHEMBL1804792 | 0.66 | PARP1 (0.34) | HCAR2CA12ALPLCA9 | |
| SCHEMBL1803979 | 0.65 | TDP2 (0.43) | — | |
| SCHEMBL1809016 | 0.65 | KDM4E (0.48) | — | |
| SCHEMBL1584089 | 0.64 | NPC1 (0.41) | HCAR2CA12ALPLCA9 |
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-2501704-A1 | SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS | Eli Lilly and Company (US) | 2012-09-26 | — | — | EP | disclosed |
| WO-2011060217-A1 | SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2011-05-19 | — | — | WO | disclosed |