Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 4/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.36 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4859336 | 1.00 | ALDH1A1 (0.41) | ALDH1A1KDM4EPOLBTDP1MAPT | |
| SCHEMBL4865450 | 0.75 | ALDH1A1 (0.42) | ALDH1A1KDM4EMAPTLMNAGAA | |
| SCHEMBL4865457 | 0.75 | ALDH1A1 (0.42) | ALDH1A1KDM4EMAPTLMNAGAA | |
| SCHEMBL4858516 | 0.73 | ALDH1A1 (0.58) | ALDH1A1KDM4ETDP1MAPTLMNA | |
| SCHEMBL14003588 | 0.73 | ALDH1A1 (0.58) | ALDH1A1KDM4ETDP1MAPTLMNA | |
| SCHEMBL4858521 | 0.73 | ALDH1A1 (0.58) | ALDH1A1KDM4ETDP1MAPTLMNA | |
| SCHEMBL4859398 | 0.71 | ALDH1A1 (0.45) | ALDH1A1POLBMAPTLMNASMN1; SMN2 | |
| SCHEMBL20121630 | 0.65 | — | — | |
| SCHEMBL20121747 | 0.63 | — | — | |
| SCHEMBL3140700 | 0.61 | POLB (0.77) | ALDH1A1POLBTDP1MAPK1OPRK1 |
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 | ALDH1A1 3536/4885KDM4E 941/4885POLB 1419/4885 |
| US-20050222237-A1 | Inhibitors of GSK-3 and uses thereof | GSK3B, AURKC, GSK3A | ALDH1A1 3536/4885KDM4E 941/4885POLB 1419/4885 |
“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.