Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | NAAA | Q02083 | 3/20 | 0.43 |
| ▸ | PPARA | Q07869 | 6/20 | 0.43 |
| ▸ | FAAH | O00519 | 2/20 | 0.43 |
| ▸ | BRD4 | O60885 | 2/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.40 |
| ▸ | IDH1 | O75874 | 2/20 | 0.39 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.39 |
| ▸ | IL6ST | P40189 | 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 | |
|---|---|---|---|---|
| SCHEMBL7346804 | 1.00 | HDAC1 (0.46) | HDAC1NAAAPPARAFAAHBRD4 | |
| SCHEMBL46356 | 0.92 | NAAA (0.48) | NAAAPPARAFAAHBRD4ABCB1 | |
| SCHEMBL2501460 | 0.92 | NAAA (0.48) | NAAAPPARAFAAHBRD4ABCB1 | |
| SCHEMBL2501454 | 0.92 | NAAA (0.48) | NAAAPPARAFAAHBRD4ABCB1 | |
| SCHEMBL5558781 | 0.87 | NAAA (0.44) | NAAAPPARAFAAHABCB1IDH1 | |
| SCHEMBL5564250 | 0.84 | NAAA (0.42) | NAAAPPARAFAAHBRD4ABCB1 | |
| SCHEMBL548890 | 0.84 | CYP19A1 (0.47) | NAAAPPARAFAAHBRD4ABCB1 | |
| SCHEMBL9759140 | 0.82 | NAAA (0.43) | NAAAPPARAFAAHBRD4CSNK2B | |
| SCHEMBL7306476 | 0.81 | NAAA (0.47) | HDAC1NAAAPPARAFAAHABCB1 | |
| SCHEMBL5022262 | 0.81 | LTB4R (0.44) | NAAAIDH1CSNK2BCSNK2A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1077942-B1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | AVENTIS PHARMA INC (US) | 2005-01-12 | — | — | EP | disclosed |
| US-6316445-B1 | TACHYKININ RECEPTOR ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. | 2001-11-13 | — | — | US | disclosed |
| EP-1077942-A1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | Aventis Pharmaceuticals Inc. (US) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999059972-A1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 1999-11-25 | — | — | WO | disclosed |
| US-5932571-A | Substituted N-methyl-N-(4-(4-(1H-benzimidazol-2-yl) {1,4}diazepan-1-yl)-2-(aryl) butyl) benzamides useful for the treatment of allergic diseases | HOECHST MARION ROUSSEL, INC. (US) | 1999-08-03 | — | — | US | disclosed |