Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.73 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL6423647 | 1.00 | CYP2C19 (0.73) | CYP2C19SMN1; SMN2EPHX1LMNAALDH1A1 | |
| SCHEMBL5371218 | 0.85 | CYP2C19 (0.79) | CYP2C19SMN1; SMN2EPHX1LMNAALDH1A1 | |
| SCHEMBL1458050 | 0.85 | CYP2C19 (1.00) | CYP2C19SMN1; SMN2EPHX1LMNAALDH1A1 | |
| SCHEMBL1458057 | 0.85 | CYP2C19 (1.00) | CYP2C19SMN1; SMN2EPHX1LMNAALDH1A1 | |
| SCHEMBL666893 | 0.85 | CYP2C19 (1.00) | CYP2C19SMN1; SMN2EPHX1LMNAALDH1A1 | |
| SCHEMBL13946462 | 0.84 | FFAR2 (0.52) | CYP2C19LMNAL3MBTL1FFAR2CYP2D6 | |
| SCHEMBL5879290 | 0.84 | CYP2C19 (0.51) | CYP2C19SMN1; SMN2LMNAFFAR2 | |
| SCHEMBL1458161 | 0.83 | CYP2C19 (0.96) | CYP2C19SMN1; SMN2EPHX1LMNAALDH1A1 | |
| SCHEMBL6967261 | 0.83 | CYP2C19 (0.76) | CYP2C19SMN1; SMN2EPHX1LMNAALDH1A1 | |
| SCHEMBL1457969 | 0.83 | CYP2C19 (0.96) | CYP2C19SMN1; SMN2EPHX1LMNAALDH1A1 |
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 |