Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | FADS1 | O60427 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 8/20 | 0.44 |
| ▸ | MAPK8 | P45983 | 5/20 | 0.44 |
| ▸ | ILK | Q13418 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL3243994 | 0.83 | UTS2R (0.52) | KDM4EGAAPDPK1CYP3A4TRPA1 | |
| SCHEMBL1662606 | 0.79 | UTS2R (0.56) | KDM4ECYP3A4TRPA1ACHEFADS1 | |
| SCHEMBL10831906 | 0.79 | GAA (0.51) | GAATRPA1ACHEADRA2AILK | |
| SCHEMBL19505620 | 0.79 | TRPA1 (0.50) | KDM4EGAAPDPK1CYP3A4TRPA1 | |
| SCHEMBL700943 | 0.79 | TRPA1 (0.50) | KDM4EGAAPDPK1CYP3A4TRPA1 | |
| SCHEMBL13996487 | 0.79 | UTS2R (0.50) | KDM4EGAAPDPK1CYP3A4TRPA1 | |
| SCHEMBL2564238 | 0.78 | CHEK1 (0.35) | ILKROCK2ROCK1PKN2 | |
| SCHEMBL1274224 | 0.77 | MAPK10 (0.61) | ACHEMAPK10MAPK8 | |
| SCHEMBL11087609 | 0.76 | TOP2A (0.52) | KDM4EGAAADRA2AILKALDH1A1 | |
| SCHEMBL11700794 | 0.76 | KDM4E (0.57) | KDM4EGAAPDPK1CYP3A4TRPA1 |
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 5 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-B1 | PYRIMIDINE-BASED COMPOUNDS USEFUL AS GSK-3 INHIBITORS | VERTEX PHARMA (US) | 2010-05-05 | — | — | 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 | KDM4E 1477/4885GAA 2040/4885PDPK1 19/4885 |
“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.