Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.66 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.44 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.44 |
| ▸ | RELA | Q04206 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9083104 | 0.91 | CYP2D6 (0.55) | CYP2D6CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL9083057 | 0.86 | CYP2D6 (0.49) | CYP2D6CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL8957199 | 0.85 | CYP2D6 (0.91) | CYP2D6CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL9083259 | 0.83 | CYP2D6 (0.45) | CYP2D6CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL14129889 | 0.81 | CYP2D6 (1.00) | CYP2D6CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL9084990 | 0.81 | CYP2C9 (0.43) | CYP2D6CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL31140249 | 0.75 | CYP2D6 (0.88) | CYP2D6CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL8506313 | 0.74 | KDM4E (0.53) | CYP2D6CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL9450010 | 0.72 | KDM4E (0.74) | CYP2D6CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL9618529 | 0.72 | KDM4E (0.74) | 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 |