Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL440029 | 0.93 | GABRA1 (0.35) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL6006481 | 0.85 | PDK2 (0.37) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL6005451 | 0.85 | PDK2 (0.37) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL3142132 | 0.81 | MAPT (0.44) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL17791538 | 0.78 | CNR1 (0.32) | — | |
| SCHEMBL19174201 | 0.78 | CYP1A1 (0.48) | CYP1A1CYP1A2CYP1B1GABRA1GABRG2 | |
| SCHEMBL17082313 | 0.75 | CYP1A1 (0.49) | CYP1A1CYP1A2CYP1B1GABRA1GABRG2 | |
| SCHEMBL15450286 | 0.74 | PDK2 (0.36) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL3150471 | 0.74 | ESR1 (0.35) | — | |
| SCHEMBL12788161 | 0.73 | CYP1A1 (0.33) | CYP1A1CYP1A2CYP1B1 |
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-8410185-B2 | Porous polymeric materials for hydrogen storage | UCHICAGO ARGONNE, LLC (US) | 2013-04-02 | — | — | US | disclosed |