Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 8/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | PIP4K2C | Q8TBX8 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | USP1 | O94782 | 11/20 | 0.41 |
| ▸ | WDR48 | Q8TAF3 | 11/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL958497 | 0.87 | CYP1A2 (0.43) | CYP1A2CYP2C19CYP3A4CYP2D6MEN1 | |
| SCHEMBL13854195 | 0.85 | CDC7 (0.36) | CYP1A2CYP3A4CYP2D6CLK4 | |
| SCHEMBL12303151 | 0.84 | PIP4K2C (0.45) | CYP1A2CYP2C19CYP3A4CYP2D6MEN1 | |
| SCHEMBL786010 | 0.83 | USP1 (0.49) | CYP1A2CYP2C19CYP3A4CYP2D6MEN1 | |
| SCHEMBL961789 | 0.83 | PIP4K2C (0.43) | CYP1A2CYP2C19CYP3A4CYP2D6MEN1 | |
| SCHEMBL801495 | 0.82 | CYP1A2 (0.48) | CYP1A2CYP2C19CYP3A4CYP2D6MEN1 | |
| SCHEMBL12914219 | 0.82 | PIP4K2C (0.47) | CYP1A2CYP2C19CYP3A4CYP2D6MEN1 | |
| SCHEMBL958460 | 0.80 | PIP4K2C (0.44) | CYP1A2CYP2C19CYP3A4CYP2D6MEN1 | |
| SCHEMBL961801 | 0.79 | PIP4K2C (0.43) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL957594 | 0.79 | PIP4K2C (0.42) | CYP1A2CYP2C19CYP3A4CYP2D6MEN1 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7872129-B2 | Compositions useful as inhibitors of GSK-3 | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-01-18 | — | — | US | disclosed |
| US-7872129-B2 | Compositions useful as inhibitors of GSK-3 | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-01-18 | — | — | US | disclosed |
| US-7872129-B2 | Compositions useful as inhibitors of GSK-3 | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-01-18 | — | — | US | disclosed |
| US-20090118278-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF GSK-3 | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-05-07 | — | — | US | disclosed |
| US-20090118278-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF GSK-3 | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-05-07 | — | — | US | disclosed |
| US-20090118278-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF GSK-3 | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-05-07 | — | — | US | disclosed |
| US-7491730-B2 | Compositions useful as inhibitors of GSK-3 | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-02-17 | — | — | US | disclosed |
| US-7491730-B2 | Compositions useful as inhibitors of GSK-3 | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-02-17 | — | — | US | disclosed |
| US-7491730-B2 | Compositions useful as inhibitors of GSK-3 | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-02-17 | — | — | US | disclosed |
| CN-101037438-A | Compositions useful as inhibitors of GSK-3 | VERTEX PHARMA (US) | 2007-09-19 | — | — | CN | disclosed |
| CN-1319968-C | Pyrazole compositions useful as inhibitors of GSK-3 | VERTEX PHARMA (US) | 2007-06-06 | — | — | CN | disclosed |
| EP-1739087-A1 | Pyrazole compositions useful as inhibitors of gsk-3 | Vertex Pharmaceuticals Incorporated (US) | 2007-01-03 | — | — | EP | disclosed |
| EP-1532145-B1 | PYRAZOLE COMPOSITIONS USEFUL AS INHIBITORS OF GSK-3 | VERTEX PHARMA (US) | 2006-09-13 | — | — | EP | disclosed |
| CN-1681815-A | Pyrazole compositions useful as inhibitors of GSK-3 | VERTEX PHARMA (US) | 2005-10-12 | — | — | CN | disclosed |
| EP-1532145-A1 | PYRAZOLE COMPOSITIONS USEFUL AS INHIBITORS OF GSK-3 | Vertex Pharmaceuticals Incorporated (US) | 2005-05-25 | — | — | EP | disclosed |
| US-20040039007-A1 | Compositions useful as inhibitors of GSK-3 | VERTEX PHARMACEUTICALS INCORPORATED | 2004-02-26 | — | — | US | disclosed |
| WO-2004013140-A1 | PYRAZOLE COMPOSITIONS USEFUL AS INHIBITORS OF GSK-3 | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-02-12 | — | — | 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 (2 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-20090118278-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF GSK-3 | GSK3B, GSK3A, GSKIP | CYP1A2 3247/4885CYP2C19 3052/4885CYP3A4 3409/4885 |
| US-20040039007-A1 | Compositions useful as inhibitors of GSK-3 | GSK3A, GSK3B, GSKIP | CYP1A2 2856/4885CYP2C19 3189/4885CYP3A4 3356/4885 |
“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.