Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CCNK | O75909 | 1/20 | 0.36 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.34 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.32 |
| ▸ | RELA | Q04206 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9083829 | 0.84 | CYP2C9 (0.40) | CYP2D6CYP19A1CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL9082298 | 0.83 | CYP2D6 (0.66) | CYP2D6CYP19A1CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL9083057 | 0.80 | CYP2D6 (0.49) | CYP2D6CYP19A1CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL9083104 | 0.79 | CYP2D6 (0.55) | CYP2D6CYP19A1CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL9082952 | 0.76 | KDM4E (0.41) | CYP2D6CYP19A1CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL9083254 | 0.76 | KDM4E (0.45) | CYP2D6CYP19A1CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL9525003 | 0.75 | KDM4E (0.38) | CYP2D6CYP19A1CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL9524995 | 0.75 | KDM4E (0.38) | CYP2D6CYP19A1CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL9524670 | 0.75 | NPC1 (0.46) | CYP2D6CYP19A1CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL9524673 | 0.75 | NPC1 (0.46) | CYP2D6CYP19A1CYP2C9CYP2C19ALDH1A1 |
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 |