Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.30 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.30 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.30 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.30 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27035536 | 0.91 | — | — | |
| SCHEMBL1558445 | 0.82 | NPSR1 (0.40) | NPSR1 | |
| SCHEMBL4279951 | 0.82 | — | — | |
| SCHEMBL12900034 | 0.77 | NPSR1 (0.43) | NPSR1CYP19A1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL20129579 | 0.77 | SLC6A3 (0.32) | — | |
| SCHEMBL14839115 | 0.76 | — | — | |
| SCHEMBL31710213 | 0.74 | — | — | |
| SCHEMBL1556679 | 0.73 | — | — | |
| SCHEMBL4288870 | 0.73 | HSD11B1 (0.33) | CYP17A1CYP19A1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL13079877 | 0.71 | NPSR1 (0.39) | NPSR1GRIN2DGRIN3BGRIN1GRIN2A |
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-2009156092-A2 | BI- AND POLYCYCLIC SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES | SANOFI-AVENTIS (FR) | 2009-12-30 | — | — | WO | disclosed |