Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.31 |
| ▸ | WDR5 | P61964 | 2/20 | 0.31 |
| ▸ | PTGES | O14684 | 5/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.30 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3036047 | 0.91 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19RORCEPHX2 | |
| SCHEMBL3031440 | 0.90 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19RORCEPHX2 | |
| SCHEMBL3035905 | 0.90 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19RORCEPHX2 | |
| SCHEMBL3034506 | 0.89 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19RORCEPHX2 | |
| SCHEMBL3031436 | 0.89 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19RORCEPHX2 | |
| SCHEMBL13982268 | 0.88 | PTGES (0.33) | RORCKLKB1PTGESL3MBTL1 | |
| SCHEMBL3032726 | 0.88 | RORC (0.42) | CYP3A4CYP2C9CYP2C19RORCEPHX2 | |
| SCHEMBL13560513 | 0.88 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19RORCEPHX2 | |
| SCHEMBL3028060 | 0.87 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19RORCEPHX2 | |
| SCHEMBL3800467 | 0.87 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19EPHX2KLKB1 |
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-8304419-B2 | Chemical compounds | GLAXOSMITHKLINE LLC (US) | 2012-11-06 | — | — | US | disclosed |
| US-8304419-B2 | Chemical compounds | GLAXOSMITHKLINE LLC (US) | 2012-11-06 | — | — | US | disclosed |
| US-8304419-B2 | Chemical compounds | GLAXOSMITHKLINE LLC (US) | 2012-11-06 | — | — | US | disclosed |