Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8919171 | 0.93 | MEN1 (0.51) | CYP1A2CYP2C19CYP2C9L3MBTL1ALDH1A1 | |
| 1,2-Dibutoxybenzene SCHEMBL1226749 | 0.85 | CYP1A2 (0.72) | CYP1A2CYP2C19CYP2C9L3MBTL1GAA | |
| SCHEMBL4334443 | 0.85 | ALDH1A1 (0.55) | CYP1A2ALDH1A1GAAADRB2ADRB1 | |
| 1,2-Dibutoxybenzene SCHEMBL29428927 | 0.85 | CYP1A2 (0.72) | CYP1A2CYP2C19CYP2C9L3MBTL1GAA | |
| SCHEMBL21391872 | 0.85 | CYP1A2 (0.56) | CYP1A2CYP2C19CYP2C9L3MBTL1LTA4H | |
| 1-Isopentoxy-2-Butoxybenzene SCHEMBL2848360 | 0.85 | CYP1A2 (0.56) | CYP1A2CYP2C19CYP2C9L3MBTL1LTA4H | |
| 1,2-Dibutoxybenzene SCHEMBL6236324 | 0.83 | CYP1A2 (0.69) | CYP1A2CYP2C19CYP2C9L3MBTL1GAA | |
| SCHEMBL8216837 | 0.82 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP2C9L3MBTL1ALDH1A1 | |
| SCHEMBL5080663 | 0.82 | ALOX15 (0.56) | CYP1A2CYP2C19L3MBTL1ALDH1A1GAA | |
| SCHEMBL26769964 | 0.81 | GAA (0.42) | CYP1A2CYP2C19CYP2C9L3MBTL1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010076564-A2 | ISOCHROMENONES USEFUL IN THE TREATMENT OF INFLAMMATION | BIOLIPOX AB (SE) | 2010-07-08 | — | — | WO | disclosed |