Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.34 |
| ▸ | CTSV | O60911 | 2/20 | 0.33 |
| ▸ | CTSL | P07711 | 2/20 | 0.33 |
| ▸ | CTSB | P07858 | 2/20 | 0.33 |
| ▸ | CTSS | P25774 | 2/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 0.33 |
| ▸ | CTSC | P53634 | 2/20 | 0.33 |
| ▸ | CTSF | Q9UBX1 | 2/20 | 0.33 |
| ▸ | CTSH | P09668 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2485320 | 0.91 | P2RX7 (0.38) | CYP1A2P2RX7SLC6A4CYP2D6SLC6A2 | |
| SCHEMBL576948 | 0.77 | ALDH1A1 (0.49) | P2RX7SLC6A4CYP2D6SLC6A2ATM | |
| SCHEMBL9888295 | 0.76 | ALDH1A1 (0.46) | CYP1A2CYP2D6 | |
| SCHEMBL14248992 | 0.74 | ALDH1A1 (0.42) | P2RX7SLC6A4CYP2D6SLC6A2SLC6A3 | |
| SCHEMBL19760193 | 0.74 | ALDH1A1 (0.43) | CYP1A2 | |
| SCHEMBL9452532 | 0.72 | CYP1A2 (0.44) | CYP1A2CA1CA9 | |
| SCHEMBL14486238 | 0.71 | GRM2 (0.49) | CYP1A2SLC6A4CYP2D6SLC6A2SLC6A3 | |
| SCHEMBL6496581 | 0.71 | GRM2 (0.49) | CYP1A2SLC6A4CYP2D6SLC6A2SLC6A3 | |
| SCHEMBL577122 | 0.69 | ALDH1A1 (0.47) | SLC6A4CYP2D6SLC6A2ATM | |
| SCHEMBL29112140 | 0.68 | CYP1A2 (0.39) | CYP1A2CA1CA9GLA |
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-2450997-A1 | Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same | Mitsubishi Chemical Corporation (JP) | 2012-05-09 | — | — | EP | disclosed |