Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | LTA4H | P09960 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| 1,2-Dibutoxybenzene SCHEMBL1226749 | 0.84 | CYP1A2 (0.72) | CYP1A2CYP2C19CYP2C9L3MBTL1KMT2A | |
| 1,2-Dibutoxybenzene SCHEMBL29428927 | 0.84 | CYP1A2 (0.72) | CYP1A2CYP2C19CYP2C9L3MBTL1KMT2A | |
| SCHEMBL9860366 | 0.82 | ALDH1A1 (0.50) | CYP1A2CYP2C19L3MBTL1TDP1GAA | |
| 1,2-Dibutoxybenzene SCHEMBL6236324 | 0.82 | CYP1A2 (0.69) | CYP1A2CYP2C19CYP2C9L3MBTL1KMT2A | |
| 1-Allyloxy-2-Butoxybenzene SCHEMBL2847372 | 0.81 | CYP1A2 (0.55) | CYP1A2CYP2C19CYP2C9L3MBTL1KMT2A | |
| SCHEMBL195491 | 0.81 | CYP1A2 (0.55) | CYP1A2CYP2C19CYP2C9L3MBTL1KMT2A | |
| SCHEMBL8218661 | 0.80 | CYP1A2 (0.53) | CYP1A2CYP2C19CYP2C9L3MBTL1KMT2A | |
| SCHEMBL8218662 | 0.80 | CYP1A2 (0.53) | CYP1A2CYP2C19CYP2C9L3MBTL1KMT2A | |
| 1-Propoxy-2-Butoxybenzene SCHEMBL2846696 | 0.80 | CYP1A2 (0.67) | CYP1A2CYP2C19CYP2C9L3MBTL1KMT2A | |
| SCHEMBL406835 | 0.79 | CYP1A2 (0.56) | CYP1A2CYP2C19CYP2C9L3MBTL1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0447115-A1 | Polyvinylether composition | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1991-09-18 | — | — | EP | disclosed |