Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.74 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.71 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.71 |
| ▸ | THPO | P40225 | 1/20 | 0.71 |
| ▸ | MEN1 | O00255 | 1/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.71 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.71 |
| ▸ | BLM | P54132 | 1/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL8749991 | 1.00 | ADORA2A (0.74) | ADORA2AADORA3CYP1A2ADORA2BTHPO | |
| SCHEMBL8749885 | 1.00 | ADORA2A (0.74) | ADORA2AADORA3CYP1A2ADORA2BTHPO | |
| SCHEMBL8749881 | 1.00 | ADORA2A (0.74) | ADORA2AADORA3CYP1A2ADORA2BTHPO | |
| SCHEMBL8749873 | 1.00 | ADORA2A (0.74) | ADORA2AADORA3CYP1A2ADORA2BTHPO | |
| SCHEMBL10587420 | 0.88 | ADORA2A (0.74) | ADORA2AADORA3CYP1A2ADORA2BTHPO | |
| SCHEMBL10588149 | 0.86 | CYP1A2 (0.75) | ADORA2ACYP1A2ADORA2BTHPOMEN1 | |
| SCHEMBL10588145 | 0.86 | CYP1A2 (0.75) | ADORA2ACYP1A2ADORA2BTHPOMEN1 | |
| SCHEMBL13084518 | 0.86 | ADORA2A (0.77) | ADORA2AADORA3CYP1A2ADORA2BTHPO | |
| SCHEMBL9761625 | 0.85 | ADORA2A (0.70) | ADORA2AADORA3CYP1A2ADORA2BTHPO | |
| SCHEMBL8110565 | 0.85 | ADORA2A (1.00) | ADORA2AADORA3CYP1A2ADORA2BTHPO |
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-0662975-B1 | 2-SUBSTITUTED ADENOSINES WITH A-2 RECEPTOR AFFINITY | MERRELL PHARMA INC (US) | 1997-03-26 | — | — | EP | disclosed |
| US-5426101-A | Hypotensive agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1995-06-20 | — | — | US | disclosed |