Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 5/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.44 |
| ▸ | DHFR | P00374 | 6/20 | 0.42 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
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 | 0.77 | DHFR (0.68) | TRPA1BACE1DHFRTRPM8PIK3R1 | |
| SCHEMBL4691907 | 0.74 | DHFR (0.43) | TRPA1BACE1ADORA2AADORA3ADORA1 | |
| SCHEMBL2311209 | 0.72 | TRPA1 (0.51) | TRPA1BACE1PTPN1TRPM8TRPV1 | |
| SCHEMBL4687979 | 0.72 | DHFR (0.46) | TRPA1BACE1ADORA2AADORA3ADORA1 | |
| SCHEMBL4691348 | 0.71 | DHFR (0.41) | TRPA1BACE1ADORA2AADORA3ADORA1 | |
| SCHEMBL28152212 | 0.71 | PTPN1 (0.50) | TRPA1BACE1ADORA2AADORA3ADORA1 | |
| SCHEMBL3735069 | 0.70 | BACE1 (0.60) | TRPA1BACE1TRPM8PIK3R1PIK3CA | |
| SCHEMBL4528905 | 0.70 | PTPN1 (0.62) | TRPA1BACE1PTPN1DHFRPIK3R1 | |
| SCHEMBL4524134 | 0.70 | CYP1A2 (0.57) | TRPA1BACE1PTPN1DHFRTRPM8 | |
| SCHEMBL22805659 | 0.70 | DHFR (0.55) | ADORA2AADORA3ADORA1DHFR |
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 |