Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | ECE1 | P42892 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25303191 | 0.76 | HTT (0.46) | SMPD3CYP2A6TSHRADORA2APDPK1 | |
| SCHEMBL9960924 | 0.75 | SMPD3 (0.37) | SMPD3GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL9954369 | 0.73 | AAK1 (0.40) | SMPD3GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL2745150 | 0.70 | QPCT (0.41) | SMPD3GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL1884893 | 0.69 | L3MBTL1 (0.42) | CYP2A6CYP1A2 | |
| SCHEMBL25842913 | 0.69 | SMPD3 (0.49) | SMPD3GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL7105966 | 0.69 | SMPD3 (0.39) | SMPD3GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL1882789 | 0.68 | HTT (0.46) | CYP1A2 | |
| SCHEMBL25261808 | 0.68 | SMPD3 (0.48) | SMPD3GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL26259909 | 0.67 | SMPD3 (0.54) | SMPD3GABRA1GABRG2GABRB3GABRA3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012087938-A1 | QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012087938-A1 | QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2012-06-28 | — | — | WO | disclosed |