Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.59 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | MITF | O75030 | 1/20 | 0.48 |
| ▸ | STAT3 | P40763 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL786418 | 0.82 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1KDM4EHPGDALDH1A1 | |
| SCHEMBL10646200 | 0.81 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1KDM4EHPGDLMNA | |
| SCHEMBL786422 | 0.81 | HSD11B1 (0.41) | HSP90AA1HSP90AB1ADORA3ALDH1A1MAPK1 | |
| SCHEMBL785491 | 0.79 | KDM4E (0.49) | HSP90AA1HSP90AB1KDM4EHPGDLMNA | |
| SCHEMBL786243 | 0.77 | KMT2A (0.60) | LMNAALDH1A1MAPK1TSHRALOX15 | |
| SCHEMBL21058542 | 0.77 | HSP90AA1 (0.72) | HSP90AA1HSP90AB1KDM4EHPGDLMNA | |
| SCHEMBL3105256 | 0.76 | TAS2R14 (0.44) | KDM4EHPGDLMNAALDH1A1MAPT | |
| SCHEMBL785490 | 0.76 | CCR1 (0.47) | KDM4EALDH1A1MAPK1TSHRALOX15 | |
| SCHEMBL785443 | 0.75 | CYP1A2 (0.45) | KDM4ELMNAALDH1A1MAPK1TSHR | |
| SCHEMBL959113 | 0.75 | CYP1A2 (0.44) | KDM4EALDH1A1MAPK1TSHRALOX15 |
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 | HSP90AA1 2693/4885HSP90AB1 1862/4885KDM4E 1477/4885 |
“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.