Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.39 |
| ▸ | CD44 | P16070 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL191201 | 0.97 | — | — | |
| Isobutane SCHEMBL28911841 | 0.85 | CYP1A2 (0.41) | CYP1A2CYP2A6ACHETSHRALDH1A1 | |
| SCHEMBL8747477 | 0.81 | CYP2A6 (0.43) | CYP1A2CYP2A6ACHETSHRALDH1A1 | |
| SCHEMBL467333 | 0.81 | — | — | |
| SCHEMBL29649153 | 0.81 | — | — | |
| SCHEMBL28809666 | 0.81 | ALDH1A1 (0.39) | CYP1A2CYP2A6ACHETSHRALDH1A1 | |
| SCHEMBL623762 | 0.79 | CYP2A6 (0.41) | CYP1A2CYP2A6ACHETSHRALDH1A1 | |
| SCHEMBL5186815 | 0.79 | GABRA1 (0.46) | CYP1A2CYP2A6ALDH1A1TDP1CYP3A4 | |
| SCHEMBL28052834 | 0.79 | KEAP1 (0.45) | CYP1A2CYP2A6ACHETSHRALDH1A1 | |
| SCHEMBL6068987 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6413677-B1 | THIOCARBONATE ELECTROLYTE | UBE INDUSTRIES, LTD. (JP) | 2002-07-02 | — | — | US | disclosed |