Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 2/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | DRD5 | P21918 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | PTGES | O14684 | 5/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3025136 | 0.96 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19EPHX2PTGES | |
| SCHEMBL3029925 | 0.92 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19EPHX2RORC | |
| SCHEMBL3027058 | 0.91 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19EPHX2MAPK8 | |
| SCHEMBL3032295 | 0.88 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19EPHX2RORC | |
| Trifluoroacetic Acid SCHEMBL13560564 | 0.88 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19EPHX2RORC | |
| Trifluoroacetic Acid SCHEMBL3022995 | 0.87 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19EPHX2PTGES | |
| SCHEMBL3017035 | 0.87 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19EPHX2PTGES | |
| SCHEMBL13217799 | 0.85 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19EPHX2RORC | |
| SCHEMBL3028240 | 0.85 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19EPHX2RORC | |
| SCHEMBL3027986 | 0.85 | CYP3A4 (0.35) | CYP3A4CYP2C9CYP2C19RORCMAPK8 |
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.