Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | RARB | P10826 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | PTGES | O14684 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL9083501 | 0.97 | CYP2D6 (0.42) | CYP2D6CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL9085321 | 0.94 | KDM4E (0.44) | CYP2D6CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL9083223 | 0.94 | KDM4E (0.44) | CYP2D6CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL9082272 | 0.92 | KDM4E (0.54) | CYP2D6CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL9082520 | 0.90 | CYP2D6 (0.49) | CYP2D6CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL9084598 | 0.89 | KDM4E (0.41) | CYP2D6CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL9084523 | 0.88 | CYP2D6 (0.42) | CYP2D6CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL9083593 | 0.88 | CYP2D6 (0.42) | CYP2D6CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL9085378 | 0.88 | CYP2D6 (0.47) | CYP2D6CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL9082033 | 0.87 | KDM4E (0.58) | CYP2D6CYP19A1CYP2C9CYP2C19KDM4E |
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 |