Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 18/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 18/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 18/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 8/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5093408 | 0.82 | ADORA3 (0.47) | ADORA3ADORA2AADORA1ADORA2BKDM4E | |
| SCHEMBL7146465 | 0.74 | PDE4A (0.41) | ADORA3ADORA2AADORA1ADORA2BKDM4E | |
| SCHEMBL31141656 | 0.71 | MAPT (0.53) | KDM4EALDH1A1MAPT | |
| SCHEMBL27559848 | 0.69 | PKM (0.44) | ADORA3ADORA2AADORA1ADORA2BKDM4E | |
| SCHEMBL14255689 | 0.69 | TSHR (0.59) | ADORA3ADORA2AADORA1ADORA2BKDM4E | |
| SCHEMBL5264243 | 0.68 | ALDH1A1 (0.48) | KDM4EALDH1A1MAPTNPSR1 | |
| SCHEMBL5089195 | 0.68 | ALDH1A1 (0.48) | ADORA1KDM4EALDH1A1MAPTNPSR1 | |
| SCHEMBL4183360 | 0.68 | ALDH1A1 (0.48) | KDM4EALDH1A1MAPTNPSR1 | |
| SCHEMBL5093430 | 0.67 | RAB9A (0.49) | KDM4EALDH1A1MAPTNPSR1 | |
| SCHEMBL1108633 | 0.67 | CYP1A2 (0.69) | KDM4EALDH1A1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6417185-B1 | HETEROCYCLIC ENZYME INHIBITORS | CHIRON CORPORATION | 2002-07-09 | — | — | US | disclosed |