Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 16/20 | 0.57 |
| ▸ | AKR1B1 | P15121 | 6/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | STAT3 | P40763 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4561535 | 0.85 | ALDH1A1 (0.48) | PTGDR2AKR1B1ALDH1A1CYP2C9 | |
| SCHEMBL3561087 | 0.73 | PTGDR2 (0.69) | PTGDR2AKR1B1ALDH1A1MAPK1STAT3 | |
| SCHEMBL21392131 | 0.73 | GPR17 (0.48) | PTGDR2AKR1B1ALDH1A1 | |
| SCHEMBL1406045 | 0.73 | PTGDR2 (1.00) | PTGDR2AKR1B1CYP2C9 | |
| SCHEMBL1386058 | 0.73 | PTGDR2 (0.73) | PTGDR2AKR1B1CYP2C9 | |
| SCHEMBL4561044 | 0.72 | PTGDR2 (0.46) | PTGDR2AKR1B1ALDH1A1MAPK1STAT3 | |
| SCHEMBL11606001 | 0.70 | PTGDR2 (0.49) | PTGDR2AKR1B1ALDH1A1MAPK1STAT3 | |
| SCHEMBL13953013 | 0.69 | PTGDR2 (0.64) | PTGDR2AKR1B1CYP2C9 | |
| SCHEMBL21026999 | 0.69 | GLA (0.69) | PTGDR2AKR1B1ALDH1A1MAPK1STAT3 | |
| SCHEMBL21027237 | 0.68 | PTGDR2 (0.50) | PTGDR2AKR1B1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012065062-A1 | NOVEL ANTIVIRAL COMPOUNDS | PHARMARESOURCES(SHANGHAI)CO., LTD. (CN) | 2012-05-18 | — | — | WO | disclosed |
| WO-2012065062-A1 | NOVEL ANTIVIRAL COMPOUNDS | PHARMARESOURCES(SHANGHAI)CO., LTD. (CN) | 2012-05-18 | — | — | WO | disclosed |