Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER4 | P35408 | 13/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9948183 | 1.00 | PTGER4 (0.47) | PTGER4CYP1A2CYP2D6PTGDR2 | |
| SCHEMBL8516039 | 0.96 | PTGER4 (0.49) | PTGER4CYP1A2CYP2D6PTGDR2 | |
| SCHEMBL1590641 | 0.96 | PTGER4 (0.48) | PTGER4CYP1A2CYP2D6PTGDR2 | |
| SCHEMBL10058510 | 0.96 | PTGER4 (0.48) | PTGER4CYP1A2CYP2D6PTGDR2 | |
| SCHEMBL9947945 | 0.91 | PTGER4 (0.46) | PTGER4CYP1A2CYP2D6 | |
| SCHEMBL4610415 | 0.91 | PTGER4 (0.46) | PTGER4CYP1A2CYP2D6 | |
| SCHEMBL4611275 | 0.91 | PTGER4 (0.59) | PTGER4CYP1A2CYP2D6 | |
| SCHEMBL9947720 | 0.91 | PTGER4 (0.56) | PTGER4CYP1A2CYP2D6 | |
| SCHEMBL10058569 | 0.90 | PTGER4 (0.41) | PTGER4CYP1A2CYP2D6 | |
| SCHEMBL10058568 | 0.90 | PTGER4 (0.41) | PTGER4CYP1A2CYP2D6 |
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-1979317-B1 | BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN | GLAXO GROUP LTD (GB) | 2012-08-22 | — | — | EP | disclosed |
| US-8207213-B2 | Benzoisoindole derivatives for the treatment of pain | GLAXO GROUP LIMITED (GB) | 2012-06-26 | — | — | US | disclosed |