Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALPL | P05186 | 2/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | CTSD | P07339 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4867109 | 1.00 | CYP11B1 (0.42) | CYP11B1CYP11B2ALDH1A1KDM4EHPGD | |
| SCHEMBL4864163 | 0.86 | EGFR (0.43) | ALDH1A1KDM4ECYP1A2HTR2AHTR2C | |
| SCHEMBL4864178 | 0.86 | EGFR (0.43) | ALDH1A1KDM4ECYP1A2HTR2AHTR2C | |
| SCHEMBL4857877 | 0.86 | TUBB4A (0.37) | ALDH1A1KDM4EHSD17B10NPSR1ALPL | |
| SCHEMBL4857883 | 0.86 | TUBB4A (0.37) | ALDH1A1KDM4EHSD17B10NPSR1ALPL | |
| SCHEMBL4866935 | 0.85 | GAA (0.36) | ALDH1A1KDM4EHPGDMEN1KMT2A | |
| SCHEMBL4866929 | 0.85 | GAA (0.36) | ALDH1A1KDM4EHPGDMEN1KMT2A | |
| SCHEMBL4859340 | 0.85 | MEN1 (0.38) | KDM4EALPLMEN1KMT2AL3MBTL1 | |
| SCHEMBL4859338 | 0.85 | MEN1 (0.38) | KDM4EALPLMEN1KMT2AL3MBTL1 | |
| SCHEMBL4862413 | 0.85 | KIT (0.41) | ALDH1A1KDM4EHPGDMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-7452873-B2 | Inhibitors of GSK-3 and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-11-18 | — | — | US | disclosed |
| US-20050222237-A1 | Inhibitors of GSK-3 and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2005-10-06 | — | — | US | disclosed |
| US-6916798-B2 | Inhibitors of GSK-3 and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-07-12 | — | — | US | disclosed |
| US-20040024040-A1 | Inhibitors of GSK-3 and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2004-02-05 | — | — | US | disclosed |
| WO-2003011287-A1 | PYRAZOLON DERIVATIVES AS INHIBITORS OF GSK-3 | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-02-13 | — | — | 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-20040024040-A1 | Inhibitors of GSK-3 and uses thereof | GSK3B, AURKC, GSK3A | CYP11B1 935/4885CYP11B2 861/4885ALDH1A1 3536/4885 |
| US-20050222237-A1 | Inhibitors of GSK-3 and uses thereof | GSK3B, AURKC, GSK3A | CYP11B1 935/4885CYP11B2 861/4885ALDH1A1 3536/4885 |
“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.