Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.50 |
| ▸ | NR1H2 | P55055 | 4/20 | 0.44 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.41 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | CRHR1 | P34998 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3507631 | 0.84 | ESR1 (0.42) | ESR1NR1H2L3MBTL1ALDH1A1 | |
| SCHEMBL3507496 | 0.84 | ESR1 (0.42) | ESR1L3MBTL1ALDH1A1 | |
| SCHEMBL3506710 | 0.82 | ADORA2A (0.48) | ESR1NR1H2NR1H3 | |
| SCHEMBL23946283 | 0.79 | CRHR1 (0.47) | L3MBTL1ALDH1A1NUDT1ENPP1CRHR1 | |
| SCHEMBL29829159 | 0.79 | ALDH1A1 (0.44) | ESR1NR1H2NR1H3HSD11B1L3MBTL1 | |
| SCHEMBL23497072 | 0.79 | ALDH1A1 (0.44) | ESR1NR1H2NR1H3HSD11B1L3MBTL1 | |
| SCHEMBL3510327 | 0.78 | NR1H2 (0.61) | NR1H2NR1H3 | |
| SCHEMBL3243131 | 0.78 | PARP1 (0.48) | ESR1L3MBTL1NUDT1PARP1 | |
| SCHEMBL3511764 | 0.77 | NR1H2 (0.62) | NR1H2NR1H3 | |
| SCHEMBL23946331 | 0.76 | DHODH (0.45) | L3MBTL1ALDH1A1NUDT1ENPP1CRHR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2142517-A2 | QUINAZOLINE COMPOUNDS | Wyeth (US) | 2010-01-13 | — | — | EP | disclosed |
| WO-2009020683-A2 | QUINAZOLINE COMPOUNDS | WYETH (US) | 2009-02-12 | — | — | WO | disclosed |