Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 3/20 | 0.48 |
| ▸ | ACHE | P22303 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 2/20 | 0.46 |
| ▸ | CTSS | P25774 | 2/20 | 0.46 |
| ▸ | CTSK | P43235 | 4/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.44 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.44 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.42 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.42 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.42 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7299901 | 0.88 | BCHE (0.50) | BCHEACHEALDH1A1MEN1HPGD | |
| SCHEMBL5023554 | 0.87 | KMT2A (0.52) | BCHEACHEALDH1A1MEN1HPGD | |
| SCHEMBL31047751 | 0.86 | KYNU (0.49) | BCHEACHEALDH1A1CTSLCTSS | |
| SCHEMBL10313730 | 0.86 | CASP1 (0.47) | BCHEACHECTSLCTSKCACNA1F | |
| SCHEMBL31614372 | 0.86 | CASP1 (0.47) | BCHEACHECTSLCTSKCACNA1F | |
| SCHEMBL11285763 | 0.83 | CTSL (0.59) | CTSLCTSSCTSKSIRT2SIRT1 | |
| SCHEMBL751179 | 0.83 | CTSL (0.55) | BCHEACHEALDH1A1MEN1HPGD | |
| SCHEMBL6706623 | 0.82 | BCHE (0.54) | BCHEACHEALDH1A1MEN1HPGD | |
| SCHEMBL2300340 | 0.82 | ALDH1A1 (0.56) | BCHEACHEALDH1A1MEN1HPGD | |
| SCHEMBL15450633 | 0.81 | ACE (0.45) | BCHEACHEALDH1A1MEN1HPGD |
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-1309253-A1 | METHODS, AGENTS AND DEVICES FOR REMOVING NUCLEOPHILIC TOXINS FROM TOBACCO AND TOBACCO SMOKE | Cerami Consulting Corporation (US) | 2003-05-14 | — | — | EP | claimed |
| WO-2002000046-A1 | METHODS, AGENTS AND DEVICES FOR REMOVING NUCLEOPHILIC TOXINS FROM TOBACCO AND TOBACCO SMOKE | CERAMI CONSULTING CORP. (US) | 2002-01-03 | — | — | WO | claimed |