Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.39 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9325911 | 0.81 | ADORA3 (0.62) | ADORA3ADORA2BADORA2AADORA1 | |
| SCHEMBL9327392 | 0.80 | ADORA3 (0.67) | ADORA3ADORA2BADORA2AADORA1 | |
| SCHEMBL9325713 | 0.78 | ADORA3 (0.46) | ADORA3ADORA2BADORA2AADORA1CSNK1D | |
| SCHEMBL9327228 | 0.76 | ADORA2A (0.67) | ADORA3ADORA2BADORA2AADORA1CSNK1D | |
| SCHEMBL9328686 | 0.76 | ADORA3 (0.42) | ADORA3ADORA2BADORA2AADORA1CSNK1D | |
| SCHEMBL23291366 | 0.69 | ADORA2A (0.38) | ADORA3ADORA2BADORA2AADORA1CSNK1D | |
| SCHEMBL9328035 | 0.68 | ADORA3 (0.66) | ADORA3ADORA2BADORA2AADORA1CSNK1D | |
| SCHEMBL23840696 | 0.62 | ADORA3 (0.64) | ADORA3ADORA2BADORA2AADORA1CSNK1D | |
| SCHEMBL9328278 | 0.60 | ADORA2A (0.60) | ADORA3ADORA2BADORA2AADORA1ALDH1A1 | |
| SCHEMBL7145308 | 0.60 | MAP3K5 (0.43) | ADORA3ADORA2AADORA1MEN1USP2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5356894-A | Adenosine antagonists | SYNGENTA LIMITED (GB) | 1994-10-18 | — | — | US | disclosed |
| US-5270311-A | [1,2,4]-Triazolo[1,5-a]and pyrazolo[2,3-a][1,3,5]triazine derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-12-14 | — | — | US | disclosed |
| EP-0459702-A1 | Azole Derivatives | ZENECA LIMITED (GB) | 1991-12-04 | — | — | EP | disclosed |