Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.41 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.41 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.41 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.41 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.41 |
| ▸ | CYP4F8 | P98187 | 1/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4857492 | 1.00 | CYP1A1 (0.41) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL4857716 | 0.94 | GAA (0.41) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL4857700 | 0.94 | GAA (0.41) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL4856037 | 0.87 | HTT (0.35) | MEN1KMT2ATDP1KDM4EALDH1A1 | |
| SCHEMBL4856045 | 0.87 | HTT (0.35) | MEN1KMT2ATDP1KDM4EALDH1A1 | |
| SCHEMBL4863754 | 0.86 | CHEK1 (0.43) | MEN1KMT2ANPC1KDM4EALDH1A1 | |
| SCHEMBL4865224 | 0.86 | HTT (0.40) | MEN1KMT2AGAAMAPTKDM4E | |
| SCHEMBL4863750 | 0.86 | CHEK1 (0.43) | MEN1KMT2ANPC1KDM4EALDH1A1 | |
| SCHEMBL4865228 | 0.86 | HTT (0.40) | MEN1KMT2AGAAMAPTKDM4E | |
| SCHEMBL4867821 | 0.83 | CYP1A1 (0.38) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 |
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 | CYP1A1 3836/4885CYP1A2 2176/4885CYP2E1 3757/4885 |
| US-20050222237-A1 | Inhibitors of GSK-3 and uses thereof | GSK3B, AURKC, GSK3A | CYP1A1 3836/4885CYP1A2 2176/4885CYP2E1 3757/4885 |
“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.