Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.55 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.47 |
| ▸ | HEXA | P06865 | 1/20 | 0.40 |
| ▸ | HEXB | P07686 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 1/20 | 0.39 |
| ▸ | GABRD | O14764 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.39 |
| ▸ | GABRE | P78334 | 1/20 | 0.39 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21620288 | 0.85 | CYP1A2 (0.46) | PLA2G7CYP1A1CYP1A2ALDH1A1MAP2 | |
| SCHEMBL5281695 | 0.79 | PLA2G7 (0.47) | PLA2G7CYP1A1CYP1A2ALDH1A1TSHR | |
| SCHEMBL16013714 | 0.76 | CYP3A4 (0.39) | PLA2G7CYP1A1CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL38650555 | 0.76 | CYP1A1 (0.42) | PLA2G7CYP1A1CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL17402907 | 0.74 | CYP3A4 (0.45) | PLA2G7CYP1A1CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL28230789 | 0.74 | CYP3A4 (0.55) | PLA2G7CYP1A1CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL23367880 | 0.74 | MAP2 (0.43) | PLA2G7CYP1A1CYP1A2HEXAHEXB | |
| SCHEMBL31054315 | 0.73 | HEXA (0.47) | PLA2G7CYP1A1CYP1A2CYP3A4HEXA | |
| SCHEMBL8171792 | 0.73 | CYP3A4 (0.52) | PLA2G7CYP1A1CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL1133067 | 0.73 | MYC (0.56) | CYP1A2CYP3A4HEXAHEXBALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013029338-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2013-03-07 | — | — | WO | disclosed |