Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | USP2 | O75604 | 3/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | METAP1 | P53582 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | ATM | Q13315 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17445466 | 0.80 | TOP1 (0.50) | CYP1A2CYP3A4CYP2D6CLK4MEN1 | |
| SCHEMBL3109055 | 0.76 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL5555284 | 0.76 | PRKD3 (0.45) | L3MBTL1METAP1MAPTTOP1CCR1 | |
| SCHEMBL13300153 | 0.76 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL786521 | 0.74 | METAP1 (0.46) | CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL24953761 | 0.74 | PRMT5 (0.47) | CYP3A4CYP2D6LMNATP53L3MBTL1 | |
| SCHEMBL17445465 | 0.74 | NPC1 (0.41) | CYP3A4CYP2D6HSD17B10LMNATP53 | |
| SCHEMBL29907250 | 0.73 | LMNA (0.43) | CYP3A4CYP2D6MEN1KMT2ALMNA | |
| SCHEMBL1992034 | 0.73 | LMNA (0.43) | CYP3A4CYP2D6MEN1KMT2ALMNA | |
| SCHEMBL1586221 | 0.72 | CYP19A1 (0.55) | CYP1A2CYP3A4CYP2C19CYP2D6LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2198867-A1 | Pyrimidine-based compounds useful as GSK-3 inhibitors | Vertex Pharmaceuticals, Inc. (US) | 2010-06-23 | — | — | EP | disclosed |
| EP-1474147-A1 | PYRIMIDINE-BASED COMPOUNDS USEFUL AS GSK-3 INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2004-11-10 | — | — | EP | disclosed |
| US-20030199526-A1 | Pyrimidine-based compounds useful as GSK-3 inhibitors | VERTEX PHARMACEUTICALS, INCORPORATED | 2003-10-23 | — | — | US | disclosed |
| WO-2003049739-A1 | PYRIMIDINE-BASED COMPOUNDS USEFUL AS GSK-3 INHIBITORS | VERTEX PHARMACEUTICALS, INC. (US) | 2003-06-19 | — | — | 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-20030199526-A1 | Pyrimidine-based compounds useful as GSK-3 inhibitors | GSK3B, GSK3A, GSKIP | CYP1A2 2209/4885CYP3A4 2517/4885CYP2C19 1987/4885 |
“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.