Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.51 |
| ▸ | DHFR | P00374 | 4/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | USP2 | O75604 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.44 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.44 |
| ▸ | FEN1 | P39748 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4532433 | 0.84 | DHFR (0.68) | BACE1DHFRTRPA1SCN5ASCN9A | |
| SCHEMBL4528905 | 0.81 | PTPN1 (0.62) | BACE1DHFRTRPA1PTPN1CYP1A2 | |
| SCHEMBL4524134 | 0.74 | CYP1A2 (0.57) | BACE1DHFRTRPA1PTPN1CYP1A2 | |
| SCHEMBL14529155 | 0.72 | CYP1A2 (0.49) | BACE1CYP1A2CYP2C19CYP2D6RECQL | |
| SCHEMBL6978694 | 0.71 | NPC1 (0.64) | TSHRALDH1A1MAPK1MEN1KMT2A | |
| SCHEMBL4528846 | 0.70 | PTPN1 (0.66) | BACE1DHFRPTPN1CYP1A2CYP2C19 | |
| SCHEMBL12907209 | 0.69 | SCN5A (0.59) | BACE1TRPA1SCN5ASCN9ACYP3A4 | |
| SCHEMBL3735069 | 0.69 | BACE1 (0.60) | BACE1TRPA1CYP1A2CYP2C19CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL4527702 | 0.69 | CYP2D6 (0.51) | BACE1DHFRTRPA1PTPN1CYP1A2 | |
| SCHEMBL28403515 | 0.68 | AR (0.56) | BACE1TRPA1CYP1A2CYP2C19CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1812409-A1 | AMINOQUINAZOLINES COMPOUNDS | F. Hoffmann-Roche AG (CH) | 2007-08-01 | — | — | EP | claimed |
| WO-2006050843-A1 | AMINOQUINAZOLINES COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-18 | — | — | WO | claimed |
| EP-1812409-A1 | AMINOQUINAZOLINES COMPOUNDS | F. Hoffmann-Roche AG (CH) | 2007-08-01 | — | — | EP | disclosed |
| WO-2006050843-A1 | AMINOQUINAZOLINES COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-18 | — | — | WO | disclosed |