Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.53 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 3/20 | 0.50 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.49 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | DRD4 | P21917 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4027268 | 1.00 | HRH3 (0.53) | HRH3ALDH3A1MAOBITGB3ITGA2B | |
| SCHEMBL3705860 | 1.00 | HRH3 (0.53) | HRH3ALDH3A1MAOBITGB3ITGA2B | |
| SCHEMBL4024224 | 1.00 | HRH3 (0.53) | HRH3ALDH3A1MAOBITGB3ITGA2B | |
| Bromide SCHEMBL8200227 | 0.98 | HRH3 (0.51) | HRH3ALDH3A1MAOBITGB3ITGA2B | |
| SCHEMBL4028552 | 0.98 | ALDH3A1 (0.53) | HRH3ALDH3A1MAOBALDH1A1KCNH2 | |
| SCHEMBL1249273 | 0.91 | MAOB (0.53) | HRH3ALDH3A1MAOBALDH1A1KCNH2 | |
| Hydrochloric Acid SCHEMBL1534353 | 0.89 | MAOB (0.55) | HRH3ALDH3A1MAOBKCNH2DRD2 | |
| SCHEMBL30514014 | 0.89 | HRH3 (0.61) | HRH3ALDH3A1ALDH1A1KCNH2DRD2 | |
| SCHEMBL11815991 | 0.89 | HRH3 (0.61) | HRH3ALDH3A1ALDH1A1KCNH2DRD2 | |
| SCHEMBL9770302 | 0.87 | ALDH3A1 (0.62) | HRH3ALDH3A1ALDH1A1KCNH2DRD2 |
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-8450348-B2 | Such as 3-[6-(4-Chloro-phenoxy)-hexylamino]-4-(pyridin-4-ylamino)-cyclobut-3-ene-1,2-dione; cancer, tumors; reduced side effects | FORMA TM, LLC (US) | 2013-05-28 | — | — | US | disclosed |
| EP-2096107-A1 | Derivatives of squaric acid with anti-proliferative activity | GPC Biotech AG (DE) | 2009-09-02 | — | — | EP | disclosed |
| EP-1674457-B1 | Derivatives of squaric acid with anti-proliferative activity | GPC BIOTECH AG (DE) | 2009-06-03 | — | — | EP | disclosed |
| US-20080200523-A1 | Derivatives of squaric acid with anti-proliferative activity | Valo Health, LLC | 2008-08-21 | — | — | US | disclosed |
| EP-1674457-A1 | Derivatives of squaric acid with anti-proliferative activity | GPC Biotech AG (DE) | 2006-06-28 | — | — | EP | 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-20080200523-A1 | Derivatives of squaric acid with anti-proliferative activity | SQLE, FDFT1, DLD | HRH3 3983/4885ALDH3A1 232/4885MAOB 4297/4885 |
“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.