Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 2/20 | 0.32 |
| ▸ | HTR1B | P28222 | 2/20 | 0.32 |
| ▸ | SGPL1 | O95470 | 2/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 2/20 | 0.31 |
| ▸ | DRD3 | P35462 | 2/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5684309 | 0.94 | CYP3A4 (0.39) | CYP3A4CYP2C8S1PR3HTR1DHTR1B | |
| SCHEMBL5683721 | 0.93 | CYP3A4 (0.43) | CYP3A4CYP2C8S1PR3SGPL1S1PR1 | |
| SCHEMBL5687011 | 0.92 | CYP3A4 (0.44) | CYP3A4CYP2C8S1PR3SGPL1S1PR1 | |
| SCHEMBL5684697 | 0.92 | CYP3A4 (0.44) | CYP3A4CYP2C8S1PR3SGPL1S1PR1 | |
| SCHEMBL5686434 | 0.91 | TRPV4 (0.33) | HTR1DHTR1BTRPV4CHEK1DRD2 | |
| SCHEMBL14526396 | 0.87 | TRPV4 (0.33) | KDM4EHTR1DHTR1BALDH1A1TRPV4 | |
| SCHEMBL5687262 | 0.87 | HTR1D (0.38) | CYP3A4CYP2C8S1PR3HTR1DHTR1B | |
| SCHEMBL5685300 | 0.84 | HTR1D (0.32) | CYP3A4CYP2C8S1PR3KDM4EHTR1D | |
| SCHEMBL5684282 | 0.84 | CYP3A4 (0.35) | CYP3A4CYP2C8S1PR3HTR1DHTR1B | |
| SCHEMBL5684871 | 0.83 | HTR1D (0.36) | CYP3A4CYP2C8S1PR3HTR1DHTR1B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7067179-B1 | Fused ring compound | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2006-06-27 | — | — | US | disclosed |
| EP-1201632-B1 | FUSED RING COMPOUND | DAINIPPON INK & CHEMICALS (JP) | 2006-03-29 | — | — | EP | disclosed |
| EP-1201632-A1 | FUSED RING COMPOUND | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2002-05-02 | — | — | EP | disclosed |