Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LGALS3 | P17931 | 4/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 7/20 | 0.33 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.32 |
| ▸ | CNR1 | P21554 | 2/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.32 |
| ▸ | LGALS9 | O00182 | 1/20 | 0.31 |
| ▸ | LGALS1 | P09382 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4722057 | 0.90 | GRIN2B (0.35) | P2RX7KCNK3GRIN2B | |
| SCHEMBL14101987 | 0.88 | KCNK3 (0.34) | P2RX7KCNK3CNR2GRIN2B | |
| SCHEMBL4718895 | 0.87 | CYP3A4 (0.32) | — | |
| SCHEMBL4724182 | 0.86 | P2RX7 (0.36) | P2RX7 | |
| SCHEMBL4718914 | 0.86 | P2RX7 (0.36) | P2RX7 | |
| SCHEMBL4718912 | 0.86 | P2RX7 (0.36) | P2RX7 | |
| SCHEMBL4720993 | 0.80 | — | — | |
| SCHEMBL4722852 | 0.78 | GRIN1 (0.34) | KCNK3CNR1GRIN2B | |
| SCHEMBL4720845 | 0.77 | PDE4A (0.36) | LGALS3KCNK3 | |
| SCHEMBL14101746 | 0.77 | NPSR1 (0.39) | P2RX7 |
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-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |