Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | RORC | P51449 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.31 |
| ▸ | EPAS1 | Q99814 | 5/20 | 0.31 |
| ▸ | PLG | P00747 | 1/20 | 0.31 |
| ▸ | PLAU | P00749 | 1/20 | 0.31 |
| ▸ | PLAT | P00750 | 1/20 | 0.31 |
| ▸ | MET | P08581 | 1/20 | 0.30 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.30 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL3033216 | 0.91 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19RORCKCNH2 | |
| Hydrochloric Acid SCHEMBL13560487 | 0.89 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19RORCKCNH2 | |
| SCHEMBL3637150 | 0.86 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL3036338 | 0.85 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL3037532 | 0.85 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL3027180 | 0.83 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19RORCKCNH2 | |
| SCHEMBL3029146 | 0.83 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| Trifluoroacetic Acid SCHEMBL3641276 | 0.82 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19RORCSLC6A4 | |
| SCHEMBL3034210 | 0.81 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19RORCKCNH2 | |
| SCHEMBL3032842 | 0.81 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19RORCKCNH2 |
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 4 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-20100216746-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2010-08-26 | — | — | 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100216746-A1 | CHEMICAL COMPOUNDS | SAMHD1, POLRMT, NUDT1 | CYP3A4 169/4885CYP2C9 720/4885CYP2C19 842/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.