Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | CTSV | O60911 | 2/20 | 0.32 |
| ▸ | CTSL | P07711 | 2/20 | 0.32 |
| ▸ | CTSB | P07858 | 2/20 | 0.32 |
| ▸ | CTSS | P25774 | 2/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 0.32 |
| ▸ | CTSC | P53634 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2700550 | 0.91 | CYP1A2 (0.41) | P2RX7SLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL577122 | 0.78 | ALDH1A1 (0.47) | SLC6A4SLC6A2CYP2D6HPGD | |
| SCHEMBL7634585 | 0.73 | GRM2 (0.46) | SLC6A4SLC6A2SLC6A3CYP2D6POLB | |
| SCHEMBL14248992 | 0.72 | ALDH1A1 (0.42) | P2RX7SLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL5688628 | 0.69 | GRM2 (0.45) | SLC6A4SLC6A2SLC6A3POLB | |
| SCHEMBL576948 | 0.69 | ALDH1A1 (0.49) | P2RX7SLC6A4SLC6A2CYP2D6HPGD | |
| SCHEMBL9233923 | 0.69 | PARP1 (0.45) | — | |
| SCHEMBL16449013 | 0.68 | — | — | |
| SCHEMBL919276 | 0.68 | — | — | |
| SCHEMBL11860254 | 0.68 | — | — |
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-2378602-A2 | Nonaqueous electrolyte for recherable battery, and recharchable battery with nonaqueous electrolyte | Mitsubishi Chemical Corporation (JP) | 2011-10-19 | — | — | EP | disclosed |