Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TBK1 | Q9UHD2 | 2/20 | 0.34 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.34 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11552120 | 0.75 | CYP1A2 (0.42) | CYP1A2CYP2D6CYP2C19TBK1IKBKE | |
| SCHEMBL5337478 | 0.75 | CYP1A2 (0.56) | CYP1A2CYP2D6CYP2C19HTR1A | |
| SCHEMBL11554624 | 0.75 | CYP1A2 (0.43) | CYP1A2CYP2D6CYP2C19RAB9AMEN1 | |
| SCHEMBL16806131 | 0.74 | CYP1A2 (0.54) | CYP1A2CYP2D6CYP2C19PDE10ASMN1; SMN2 | |
| SCHEMBL17166620 | 0.74 | CYP1A2 (0.54) | CYP1A2CYP2D6CYP2C19POLBMEN1 | |
| SCHEMBL11551454 | 0.74 | CYP1A2 (0.54) | CYP1A2CYP2D6CYP2C19PDE10AAHR | |
| SCHEMBL11797650 | 0.73 | TMEM97 (0.33) | CYP2D6GRIN2DGRIN2AGRIN2BGRIN2C | |
| SCHEMBL16806152 | 0.72 | CYP1A2 (0.53) | CYP1A2CYP2D6CYP2C19HTR1A | |
| SCHEMBL16806158 | 0.71 | CYP1A2 (0.51) | CYP1A2CYP2D6CYP2C19HTR1A | |
| SCHEMBL16806154 | 0.71 | CYP1A2 (0.51) | CYP1A2CYP2D6CYP2C19HTR1A |
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-4146624-A | METHOD OF TREATING VIRUSES WITH BIS-BASIC KETONES OF DIBENZOFURAN | RICHARDSON-MERRELL INC. (US) | 1979-03-27 | — | — | US | disclosed |