Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | MTOR | P42345 | 1/20 | 0.55 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | CPB2 | Q96IY4 | 10/20 | 0.33 |
| ▸ | CPB1 | P15086 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22783610 | 0.82 | CYP2C9 (0.62) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| Hydrochloric Acid SCHEMBL9803226 | 0.80 | TDP1 (0.63) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| SCHEMBL28875894 | 0.80 | CYP2C9 (0.55) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| SCHEMBL589342 | 0.80 | CYP2C9 (0.60) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| SCHEMBL3202060 | 0.79 | CYP2C9 (0.50) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| SCHEMBL1789627 | 0.78 | CYP2C9 (0.58) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| Hydrochloric Acid SCHEMBL4079392 | 0.78 | TDP1 (0.51) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| Hydrochloric Acid SCHEMBL4079400 | 0.78 | TDP1 (0.51) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| SCHEMBL1787076 | 0.77 | CYP2C9 (0.56) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| SCHEMBL28704555 | 0.77 | CYP2C9 (0.56) | CYP2C9TSHRCYP2C19MTORHRH4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101472925-B | As adenosine A2APurine derivatives of receptor agonists | NOVARTIS AG | 2012-06-13 | — | — | CN | disclosed |
| CN-101472925-A | As adenosine A2APurine derivatives of receptor agonists | NOVARTIS AG (CH) | 2009-07-01 | — | — | CN | disclosed |