Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 11/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL559655 | 0.91 | ADORA2A (0.44) | GRIN2BSMN1; SMN2NPC1RAB9AADORA2A | |
| SCHEMBL559333 | 0.77 | ADORA2A (0.49) | GRIN2BADORA2A | |
| SCHEMBL559329 | 0.76 | ADORA2A (0.47) | ADORA2A | |
| SCHEMBL1244300 | 0.75 | SMN1; SMN2 (0.55) | GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL559593 | 0.75 | ADORA2A (0.43) | GRIN2BSMN1; SMN2ADORA2ACYP2C19LMNA | |
| SCHEMBL559613 | 0.74 | GRIN2B (0.42) | GRIN2BSMN1; SMN2NPC1RAB9AADORA2A | |
| SCHEMBL4057288 | 0.73 | ADORA2A (0.59) | ADORA2A | |
| SCHEMBL559740 | 0.73 | ADORA2A (0.46) | ADORA2AFAAH | |
| SCHEMBL10456428 | 0.73 | ADORA2A (0.57) | ADORA2A | |
| SCHEMBL10458535 | 0.73 | ADORA2A (0.57) | ADORA2A |
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-2041136-A2 | SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS | PGXHealth, LLC (US) | 2009-04-01 | — | — | EP | disclosed |
| WO-2008011007-A2 | SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS | PGXHEALTH, LLC (US) | 2008-01-24 | — | — | WO | disclosed |