Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | GABRP | O00591 | 2/20 | 0.52 |
| ▸ | GABRD | O14764 | 2/20 | 0.52 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.52 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.52 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.52 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.52 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.52 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.52 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.52 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.52 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.52 |
| ▸ | GABRE | P78334 | 2/20 | 0.52 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.52 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.52 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.52 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10400730 | 1.00 | CYP1A2 (0.58) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL7529164 | 0.88 | FFAR4 (0.44) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL11488056 | 0.86 | CYP1A2 (0.44) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL7530500 | 0.86 | FFAR4 (0.52) | ALDH1A1FFAR4FFAR1MEN1KMT2A | |
| SCHEMBL14616914 | 0.84 | ALDH1A1 (0.48) | CYP1A2CYP3A4CYP2C19GAAALDH1A1 | |
| SCHEMBL13572949 | 0.83 | L3MBTL1 (0.55) | CYP1A2CYP3A4CYP2C19GAAALDH1A1 | |
| SCHEMBL5014725 | 0.83 | L3MBTL1 (0.55) | CYP1A2CYP3A4CYP2C19GAAALDH1A1 | |
| SCHEMBL16599025 | 0.83 | ALDH1A1 (0.42) | CYP1A2CYP3A4CYP2C19GAAALDH1A1 | |
| SCHEMBL2169058 | 0.82 | CYP1A2 (0.62) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL7530179 | 0.82 | GABRR1 (0.50) | CYP1A2CYP3A4CYP2C19GAAALDH1A1 |
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-1421069-B1 | PROCESS FOR THE PREPARATION OF CYCLOPENTA[G]QUINAZOLINE DERIVATIVES | BTG INT LTD (GB) | 2011-08-10 | — | — | EP | disclosed |