Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 3/20 | 0.34 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3643688 | 0.90 | CYP3A4 (0.37) | SLC22A12CYP3A4LMNACYP2C9CYP2C19 | |
| SCHEMBL3035905 | 0.87 | CYP3A4 (0.45) | CYP3A4LMNACYP2C9CYP2C19KLKB1 | |
| SCHEMBL13981692 | 0.87 | LMNA (0.36) | LMNAKLKB1RORCMAP4K1ROCK2 | |
| SCHEMBL13560583 | 0.86 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19HAO1EPHX2 | |
| SCHEMBL3023587 | 0.86 | CYP3A4 (0.49) | SLC22A12CYP3A4LMNACYP2C9CYP2C19 | |
| SCHEMBL3633214 | 0.86 | KLKB1 (0.32) | CYP3A4LMNACYP2C9CYP2C19KLKB1 | |
| SCHEMBL3023798 | 0.85 | CYP3A4 (0.36) | CYP3A4LMNACYP2C9CYP2C19KLKB1 | |
| SCHEMBL3027985 | 0.85 | LMNA (0.34) | CYP3A4LMNACYP2C9CYP2C19KLKB1 | |
| SCHEMBL3800467 | 0.84 | CYP3A4 (0.51) | CYP3A4LMNACYP2C9CYP2C19KLKB1 | |
| SCHEMBL13560513 | 0.84 | CYP3A4 (0.44) | CYP3A4LMNACYP2C9CYP2C19RORC |
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 5 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 |
| EP-2166856-A1 | CHEMICAL COMPOUNDS | GlaxoSmithKline LLC (US) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008154271-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-18 | — | — | WO | disclosed |