Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.40 |
| ▸ | LTA4H | P09960 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1698265 | 0.84 | ALDH1A1 (0.46) | CYP1A2CYP2C19L3MBTL1TDP1CYP2D6 | |
| 1,2-Dibutoxybenzene SCHEMBL29428927 | 0.80 | CYP1A2 (0.72) | CYP1A2CYP2C19CYP2C9CYP19A1L3MBTL1 | |
| 1,2-Dibutoxybenzene SCHEMBL1226749 | 0.80 | CYP1A2 (0.72) | CYP1A2CYP2C19CYP2C9CYP19A1L3MBTL1 | |
| 1,2-Dibutoxybenzene SCHEMBL6236324 | 0.78 | CYP1A2 (0.69) | CYP1A2CYP2C19CYP2C9CYP19A1L3MBTL1 | |
| SCHEMBL8693129 | 0.77 | MAPT (0.51) | L3MBTL1LTA4HTDP1MAPTHTR2B | |
| 1-Propoxy-2-Butoxybenzene SCHEMBL2846696 | 0.76 | CYP1A2 (0.67) | CYP1A2CYP2C19CYP2C9CYP19A1L3MBTL1 | |
| SCHEMBL9440806 | 0.74 | CYP1A2 (0.60) | CYP1A2CYP2C19CYP2C9CYP19A1L3MBTL1 | |
| 1-Ethoxy-2-Butoxybenzene SCHEMBL3460023 | 0.74 | L3MBTL1 (0.66) | CYP1A2CYP2C19CYP2C9CYP19A1L3MBTL1 | |
| SCHEMBL10730442 | 0.74 | CYP1A2 (0.64) | CYP1A2CYP2C19CYP2C9CYP19A1L3MBTL1 | |
| SCHEMBL28357821 | 0.74 | CYP1A2 (0.64) | CYP1A2CYP2C19CYP2C9CYP19A1L3MBTL1 |
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-0126449-A1 | Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry | SYNTEX (U.S.A.) INC. (US) | 1984-11-28 | — | — | EP | disclosed |