Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 15/20 | 0.62 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL2843175 | 0.87 | ADORA2A (0.49) | ADORA2AADORA1ADORA3ADORA2BHDAC1 | |
| SCHEMBL14019391 | 0.78 | ADORA2A (0.50) | ADORA2AADORA1HDAC1 | |
| SCHEMBL12972222 | 0.77 | ADORA2A (0.77) | ADORA2AADORA1KDM4ENPC1ALDH1A1 | |
| SCHEMBL8275730 | 0.77 | ADORA2A (1.00) | ADORA2A | |
| SCHEMBL29361733 | 0.77 | ADORA2A (1.00) | ADORA2A | |
| SCHEMBL13853059 | 0.76 | ADORA2A (0.76) | ADORA2AADORA1KDM4ENPC1ALDH1A1 | |
| SCHEMBL14922343 | 0.76 | ADORA2A (0.81) | ADORA2A | |
| SCHEMBL6014160 | 0.75 | ADORA2A (0.81) | ADORA2AADORA1KDM4ENPC1ALDH1A1 | |
| SCHEMBL5333130 | 0.75 | ADORA2A (0.76) | ADORA2AADORA1KDM4ENPC1ALDH1A1 | |
| SCHEMBL13904673 | 0.74 | ADORA2A (0.76) | ADORA2AADORA1KDM4ENPC1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |
| US-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |