Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ALPI | P09923 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | XIAP | P98170 | 1/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.31 |
| ▸ | LAP3 | P28838 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3155159 | 0.84 | GRIN2D (0.33) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL3136547 | 0.84 | GRIN2D (0.33) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL3163944 | 0.84 | GRIN2D (0.33) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL3145397 | 0.84 | GRIN2D (0.33) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL31016265 | 0.84 | GRIN2D (0.33) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL11124714 | 0.83 | GRIN2D (0.32) | CYP1A2GRIN2DGRIN3BADRA1DADRA1A | |
| SCHEMBL6637475 | 0.83 | GRIN2D (0.32) | CYP1A2GRIN2DGRIN3BADRA1DADRA1A | |
| SCHEMBL2045564 | 0.78 | GRIN2D (0.31) | GRIN2DGRIN3BADRA1DADRA1AADRA1B | |
| SCHEMBL2045566 | 0.78 | GRIN2D (0.31) | GRIN2DGRIN3BADRA1DADRA1AADRA1B | |
| SCHEMBL11063309 | 0.77 | GRIN2D (0.30) | GRIN2DGRIN3BADRA1DADRA1AADRA1B |
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-2009095098-A2 | USE OF BENZOTHIADIAZOLES | RWTH AACHEN (DE) | 2009-08-06 | — | — | WO | disclosed |