Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5088449 | 0.77 | CCR1 (0.39) | TLR9TLR8TLR7PARP1NOS3 | |
| SCHEMBL9733257 | 0.72 | CYP3A4 (0.41) | PARP1NOS2 | |
| SCHEMBL171615 | 0.72 | CHEK1 (0.47) | — | |
| SCHEMBL10080114 | 0.70 | HTR2C (0.46) | TLR9TLR8TLR7 | |
| SCHEMBL7306428 | 0.70 | MEN1 (0.40) | TLR9TLR8TLR7PARP1 | |
| SCHEMBL6764229 | 0.70 | BMPR1B (0.33) | TLR9TLR8TLR7PARP1NOS3 | |
| SCHEMBL6965088 | 0.69 | HTR2A (0.37) | — | |
| SCHEMBL9786097 | 0.69 | HTR2A (0.37) | — | |
| SCHEMBL27848286 | 0.69 | HTR2C (0.39) | TLR9TLR8TLR7PARP1 | |
| SCHEMBL526057 | 0.69 | PRKCZ (0.38) | TLR9TLR8TLR7PARP1ROCK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1373247-A2 | SPIROISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF | TANABE SEIYAKU CO., LTD. (JP) | 2004-01-02 | — | — | EP | disclosed |
| WO-2002079189-A2 | SPIROISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION AND INTERMEDIATES | TANABE SEIYAKU CO., LTD. (JP) | 2002-10-10 | — | — | WO | disclosed |