Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | KLK3 | P07288 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 4/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4720679 | 0.90 | CCR2 (0.39) | HDAC1ADORA3ADORA2AADORA1KLK3 | |
| SCHEMBL14101815 | 0.89 | CCR2 (0.38) | HDAC1ADORA3ADORA2AADORA1KLK3 | |
| SCHEMBL4723051 | 0.89 | SLC16A3 (0.42) | HDAC1ADORA3ADORA2AADORA1KLK3 | |
| SCHEMBL4721280 | 0.88 | SLC16A3 (0.45) | HDAC1ADORA3ADORA2AADORA1CCR2 | |
| SCHEMBL4719664 | 0.88 | CCR2 (0.38) | HDAC1ADORA3ADORA2AADORA1KLK3 | |
| SCHEMBL4722315 | 0.85 | ADORA3 (0.48) | ADORA3ADORA2AADORA1CCR2POLB | |
| SCHEMBL4766385 | 0.85 | HDAC1 (0.39) | HDAC1ADORA3ADORA2AADORA1CCR2 | |
| SCHEMBL4722471 | 0.85 | ADORA3 (0.43) | HDAC1ADORA3ADORA2AADORA1KLK3 | |
| SCHEMBL4722444 | 0.85 | NPC1 (0.42) | CCR2 | |
| SCHEMBL4722621 | 0.84 | CCR2 (0.40) | ADORA3ADORA2AADORA1KLK3CCR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |