Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL959113 | 0.89 | CYP1A2 (0.44) | CYP1A2CYP2D6CYP2C19CLK4CYP2C9 | |
| SCHEMBL786243 | 0.83 | KMT2A (0.60) | CYP1A2CYP2D6CYP2C19CLK4CYP2C9 | |
| SCHEMBL786418 | 0.81 | HSP90AA1 (0.54) | CYP1A2CYP2D6CYP2C19CLK4CYP2C9 | |
| SCHEMBL785491 | 0.81 | KDM4E (0.49) | CYP1A2CYP2D6CYP2C19CLK4CYP2C9 | |
| SCHEMBL786422 | 0.80 | HSD11B1 (0.41) | CYP1A2CYP2D6CYP2C19CLK4CYP2C9 | |
| SCHEMBL5476158 | 0.80 | LMNA (0.58) | LMNAPOLBHSD17B10MAPK1KMT2A | |
| SCHEMBL958107 | 0.78 | CYP1A2 (0.44) | CYP1A2CYP2D6CYP2C19CLK4CYP2C9 | |
| SCHEMBL785490 | 0.78 | CCR1 (0.47) | CYP1A2CYP2D6CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL5483717 | 0.76 | GAA (0.63) | CYP1A2CYP2D6CYP2C19CYP2C9LMNA | |
| SCHEMBL3101944 | 0.76 | HSP90AA1 (0.59) | CYP1A2CYP2D6CYP2C19CYP2C9LMNA |
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 | TAS2R14 4571/4885CYP1A2 2209/4885CYP2D6 1600/4885 |
“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.