Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PTGES | O14684 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.34 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9081918 | 1.00 | CYP2D6 (0.39) | CYP2D6CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL9082895 | 0.95 | KDM4E (0.36) | CYP2D6CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL9084305 | 0.95 | KDM4E (0.36) | CYP2D6CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL9083773 | 0.94 | HRH3 (0.37) | HRH3DGAT1CXCR1CXCR2 | |
| SCHEMBL9082296 | 0.92 | KDM4E (0.48) | CYP2D6KDM4EALDH1A1HPGDHTT | |
| SCHEMBL9083927 | 0.91 | HRH3 (0.38) | HRH3DGAT1CXCR1CXCR2 | |
| SCHEMBL9083102 | 0.90 | KDM4E (0.52) | CYP2D6KDM4EALDH1A1HPGDHTT | |
| SCHEMBL9083871 | 0.90 | KDM4E (0.34) | CYP2D6CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL9084845 | 0.90 | KDM4E (0.34) | CYP2D6CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL9230791 | 0.90 | CYP3A4 (0.38) | CYP2D6CYP3A4KDM4EALDH1A1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5512207-A | Azaaromatic compounds, process for their preparation, and their use in liquid-crystalline mixtures | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-04-30 | — | — | US | disclosed |