Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.59 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.58 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.58 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.58 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.58 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.58 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.58 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.58 |
| ▸ | AHR | P35869 | 3/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.46 |
| ▸ | F7 | P08709 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | F3 | P13726 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL15928034 | 0.85 | GRIN2D (0.71) | CYP2A6GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL6845647 | 0.81 | GRIN2D (0.62) | CYP2A6GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL6845644 | 0.81 | GRIN2D (0.62) | CYP2A6GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL8058235 | 0.79 | CYP2A6 (0.66) | CYP2A6GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL28202524 | 0.78 | CYP2A6 (0.70) | CYP2A6GRIN2DGRIN3BGRIN1GRIN2A | |
| Cyanide SCHEMBL22130248 | 0.77 | GRIN2D (0.57) | CYP2A6GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL13569032 | 0.75 | CYP2A6 (0.66) | CYP2A6GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL97208 | 0.75 | CYP2A6 (1.00) | CYP2A6GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL2419333 | 0.75 | CYP2A6 (0.66) | CYP2A6GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL31341461 | 0.75 | CYP2A6 (1.00) | CYP2A6GRIN2DGRIN3BGRIN1GRIN2A |
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-2010074284-A1 | PYRAZOLOPYRIMIDINE COMPOUND | 味の素株式会社 (JP) | 2010-07-01 | — | — | WO | disclosed |