Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | TSHR | P16473 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.38 |
| ▸ | MEN1 | O00255 | 5/20 | 0.38 |
| ▸ | APAF1 | O14727 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4863412 | 1.00 | ALDH1A1 (0.40) | ALDH1A1TSHRSMN1; SMN2CYP3A4MAPT | |
| SCHEMBL4857713 | 0.87 | TUBB4A (0.41) | ALDH1A1SMN1; SMN2CYP3A4MAPTCYP2D6 | |
| SCHEMBL4857722 | 0.87 | TUBB4A (0.41) | ALDH1A1SMN1; SMN2CYP3A4MAPTCYP2D6 | |
| SCHEMBL4866577 | 0.85 | TUBB4A (0.39) | KMT2AMEN1GAAKITTUBB4A | |
| SCHEMBL4866586 | 0.85 | TUBB4A (0.39) | KMT2AMEN1GAAKITTUBB4A | |
| SCHEMBL4865279 | 0.84 | MEN1 (0.36) | SMN1; SMN2MAPTKMT2AMEN1GAA | |
| SCHEMBL4865270 | 0.84 | MEN1 (0.36) | SMN1; SMN2MAPTKMT2AMEN1GAA | |
| SCHEMBL4867821 | 0.83 | CYP1A1 (0.38) | CYP3A4MAPTCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4867830 | 0.83 | CYP1A1 (0.38) | CYP3A4MAPTCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4857529 | 0.78 | CYP1A1 (0.41) | ALDH1A1SMN1; SMN2CYP3A4MAPTCYP1A2 |
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 3536/4885TSHR 4636/4885SMN1; SMN2 2612/4885 |
| US-20050222237-A1 | Inhibitors of GSK-3 and uses thereof | GSK3B, AURKC, GSK3A | ALDH1A1 3536/4885TSHR 4636/4885SMN1; SMN2 2612/4885 |
“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.