Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6049077 | 1.00 | CXCR4 (0.39) | CXCR4ALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL3894282 | 0.98 | CXCR4 (0.39) | CXCR4ALDH1A1GAA | |
| SCHEMBL3894363 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL3909331 | 0.64 | PDE4D (0.34) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3900671 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL3901555 | 0.62 | ALDH1A1 (0.40) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3901551 | 0.62 | ALDH1A1 (0.40) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3908786 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL3908782 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL4823268 | 0.58 | GPR84 (0.30) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7671078-B2 | Isothiourea derivatives of imadazo[2,1-b]Thiazoles and 5,6-dihydro derivatives thereof useful as CXCR4 chemokine receptor inhibitors | NOVARTIS AG (CH) | 2010-03-02 | — | — | US | disclosed |
| US-20070161618-A1 | Isothiourea derivatives | NOVARTIS AG (CH) | 2007-07-12 | — | — | US | disclosed |
| CN-1922158-A | Isothiourea derivatives | NOVARTIS AG (CH) | 2007-02-28 | — | — | CN | disclosed |
| EP-1720845-A1 | ISOTHIOUREA DERIVATIVES | Novartis AG (CH) | 2006-11-15 | — | — | EP | disclosed |
| EP-1669352-A1 | THIAZOLINE DERIVATIVE AND USE OF THE SAME | Takeda Pharmaceutical Company Limited (JP) | 2006-06-14 | — | — | EP | disclosed |
| WO-2005085219-A1 | ISOTHIOUREA DERIVATIVES | NOVARTIS AG (CH) | 2005-09-15 | — | — | 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-20070161618-A1 | Isothiourea derivatives | TPMT, HLA-DRB1, IRF3 | CXCR4 932/4885ALDH1A1 489/4885GAA 2190/4885 |
“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.