Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER4 | P35408 | 18/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2928448 | 0.95 | PTGER4 (0.61) | PTGER4CYP1A2CYP2D6CA2THRA | |
| SCHEMBL2939064 | 0.92 | PTGER4 (0.66) | PTGER4CYP1A2CYP2D6THRB | |
| SCHEMBL9947708 | 0.91 | PTGER4 (0.57) | PTGER4CYP1A2CYP2D6 | |
| SCHEMBL10058534 | 0.90 | PTGER4 (0.48) | PTGER4CYP1A2CYP2D6 | |
| SCHEMBL9947684 | 0.89 | PTGER4 (0.57) | PTGER4CYP1A2CYP2D6 | |
| SCHEMBL1590496 | 0.88 | PTGER4 (0.54) | PTGER4CYP1A2CYP2D6THRATHRB | |
| SCHEMBL2923324 | 0.87 | PTGER4 (0.72) | PTGER4CYP1A2CYP2D6THRB | |
| SCHEMBL2931717 | 0.87 | PTGER4 (0.51) | PTGER4CYP1A2CYP2D6CA2THRA | |
| SCHEMBL9947978 | 0.86 | PTGER4 (0.51) | PTGER4CYP1A2CYP2D6CA2THRA | |
| SCHEMBL13177679 | 0.85 | PTGER4 (0.52) | 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 |