Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3413530 | 0.81 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1GAAPOLBNPC1 | |
| SCHEMBL4768434 | 0.78 | AKR1C1 (0.38) | HCAR3HCAR2KCNA3ALDH1A1L3MBTL1 | |
| SCHEMBL3924859 | 0.75 | ALDH1A1 (0.40) | HCAR2ALDH1A1L3MBTL1GAAPOLB | |
| SCHEMBL517588 | 0.72 | OPRM1 (0.39) | SLC6A4 | |
| SCHEMBL4152236 | 0.69 | ALDH1A1 (0.34) | ALDH1A1L3MBTL1GAAPOLBNPC1 | |
| SCHEMBL4762122 | 0.69 | OPRM1 (0.30) | HCAR3HCAR2 | |
| SCHEMBL4765099 | 0.68 | SLC6A4 (0.36) | KCNA3ALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL26627224 | 0.68 | MAOA (0.41) | KCNA3SLC6A2SLC6A4 | |
| SCHEMBL4762096 | 0.68 | — | — | |
| SCHEMBL4699835 | 0.66 | AKR1C1 (0.45) | MEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1725567-B1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES WITH AFFINITY TO THE ORL-1 RECEPTOR | GRUENENTHAL GMBH (DE) | 2008-03-26 | — | — | EP | disclosed |
| EP-1725567-A1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES WITH AFFINITY TO THE ORL-1 RECEPTOR | Grünenthal GmbH (DE) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005066183-A1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES WITH AFFINITY FOR THE ORL1-RECEPTOR | Grünenthal GmbH (DE) | 2005-07-21 | — | — | WO | disclosed |