Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.43 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.43 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PTGFR | P43088 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1913580 | 1.00 | TAAR1 (0.46) | TAAR1CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL30514332 | 1.00 | TAAR1 (0.46) | TAAR1CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL6470241 | 1.00 | TAAR1 (0.46) | TAAR1CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL27859943 | 0.89 | TAAR1 (0.51) | TAAR1HPGDHTTMTNR1AMTNR1B | |
| SCHEMBL1913892 | 0.88 | CACNA2D1 (0.45) | TAAR1CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL30514328 | 0.88 | CACNA2D1 (0.45) | TAAR1CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL29140013 | 0.88 | CACNA2D1 (0.45) | TAAR1CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL3118021 | 0.83 | CACNA2D1 (0.51) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL1913520 | 0.83 | CACNA2D1 (0.51) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL29139996 | 0.83 | LMNA (0.51) | 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 4 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-1572188-A1 | PREGABALIN DERIVATIVES FOR THE TREATMENT OF FIBROMYALGIA AND OTHER DISORDERS | Warner-Lambert Company LLC (US) | 2005-09-14 | — | — | EP | disclosed |
| WO-2004054566-A1 | PREGABALIN DERIVATIVES FOR THE TREATMENT OF FIBROMYALGIA AND OTHER DISORDERS | WARNER-LAMBERT COMPANY LLC (US) | 2004-07-01 | — | — | WO | disclosed |