Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.45 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.45 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.45 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.38 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.37 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1913884 | 1.00 | CACNA2D1 (0.45) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL4938152 | 0.87 | CACNA2D1 (0.47) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL4938149 | 0.87 | CACNA2D1 (0.47) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL1913747 | 0.87 | CACNA2D1 (0.47) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL4938161 | 0.87 | CACNA2D1 (0.47) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL18112961 | 0.83 | HTT (0.46) | SMN1; SMN2HTTFOLH1CYP2C19CTSB | |
| SCHEMBL1913520 | 0.82 | CACNA2D1 (0.51) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL3118021 | 0.82 | CACNA2D1 (0.51) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL6462627 | 0.82 | CACNA2D1 (0.47) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL1913698 | 0.82 | CACNA2D1 (0.47) | CACNA2D1CACNB3CACNA1CPGRADRA1A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117045653-A | Diseases and treatments associated with toxic aldehydes | 奥尔德拉医疗公司 | 2023-11-14 | — | — | CN | disclosed |
| CN-111135171-B | Diseases and treatments associated with toxic aldehydes | 奥尔德拉医疗公司 | 2023-09-08 | — | — | CN | disclosed |
| EP-2172197-A1 | Octanoic acid derivative to treat fibromyalgia and other pains | Warner-Lambert Company LLC (US) | 2010-04-07 | — | — | EP | disclosed |
| EP-1289558-A2 | COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC | WARNER-LAMBERT COMPANY LLC (US) | 2003-03-12 | — | — | EP | disclosed |
| WO-2001091736-A2 | COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC | WARNER-LAMBERT COMPANY (US) | 2001-12-06 | — | — | WO | disclosed |