Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 3/20 | 0.40 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.39 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9082520 | 0.97 | CYP2D6 (0.49) | CYP2D6CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL9083223 | 0.94 | KDM4E (0.44) | CYP2D6CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL9085321 | 0.94 | KDM4E (0.44) | CYP2D6CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL9083491 | 0.94 | KDM4E (0.48) | CYP2D6CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL9083501 | 0.91 | CYP2D6 (0.42) | CYP2D6CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL9082033 | 0.90 | KDM4E (0.58) | CYP2D6CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL9085406 | 0.88 | NPC1 (0.53) | CYP2D6CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL9081918 | 0.88 | CYP2D6 (0.39) | CYP2D6CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL9084850 | 0.88 | CYP2D6 (0.39) | CYP2D6CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL9083496 | 0.88 | CYP2D6 (0.44) | 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 |