Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 2/20 | 0.71 |
| ▸ | DRD4 | P21917 | 2/20 | 0.71 |
| ▸ | DRD5 | P21918 | 2/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | LTA4H | P09960 | 2/20 | 0.62 |
| ▸ | POLB | P06746 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
| ▸ | HRH1 | P35367 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL19068983 | 0.88 | MCHR1 (0.63) | DRD1DRD4DRD5ALDH1A1LTA4H | |
| SCHEMBL1956688 | 0.85 | LTA4H (0.79) | DRD1DRD4DRD5LTA4HKDM4E | |
| SCHEMBL14578233 | 0.84 | DRD1 (0.65) | DRD1DRD4DRD5LTA4HPOLB | |
| SCHEMBL9274541 | 0.82 | DRD1 (0.63) | DRD1DRD4DRD5LTA4HPOLB | |
| SCHEMBL5319656 | 0.82 | KDM4E (0.70) | DRD1DRD4DRD5ALDH1A1POLB | |
| SCHEMBL13096987 | 0.82 | MCHR1 (0.68) | DRD1DRD4DRD5ALDH1A1LTA4H | |
| SCHEMBL21886975 | 0.81 | LTA4H (0.65) | DRD1DRD4DRD5ALDH1A1LTA4H | |
| SCHEMBL14925325 | 0.81 | MCHR1 (0.61) | DRD1DRD4DRD5ALDH1A1LTA4H | |
| Ammonia Solution, Strong SCHEMBL4267670 | 0.81 | KDM4E (0.68) | DRD1DRD4DRD5ALDH1A1POLB | |
| SCHEMBL8703127 | 0.80 | DRD1 (0.74) | DRD1DRD4DRD5LTA4HPOLB |
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 | DRD1 2362/4885DRD4 3529/4885DRD5 1980/4885 |
“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.