Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 14/20 | 0.33 |
| ▸ | CASP7 | P55210 | 7/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CASP9 | P55211 | 2/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | CASP2 | P42575 | 1/20 | 0.30 |
| ▸ | CASP4 | P49662 | 1/20 | 0.30 |
| ▸ | CASP6 | P55212 | 1/20 | 0.30 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2836168 | 0.98 | CASP3 (0.35) | CASP3CASP7ALDH1A1CASP1CASP6 | |
| SCHEMBL2836513 | 0.87 | CASP3 (0.34) | CASP3CASP7ALDH1A1CASP9CASP1 | |
| SCHEMBL2832606 | 0.87 | HTR7 (0.34) | CASP3CASP7 | |
| SCHEMBL2836548 | 0.86 | CA12 (0.38) | CASP3CASP7ALDH1A1CASP1KDM4E | |
| SCHEMBL2835635 | 0.85 | CASP3 (0.35) | CASP3CASP7CASP9CASP1CASP2 | |
| SCHEMBL2834638 | 0.85 | HTR7 (0.36) | CASP3CASP7CASP1CASP6 | |
| SCHEMBL2836786 | 0.85 | KMT2A (0.39) | CASP3CASP7ALDH1A1CASP1CASP6 | |
| SCHEMBL2832603 | 0.85 | HTR7 (0.31) | CASP3 | |
| SCHEMBL2832605 | 0.85 | HTR7 (0.31) | CASP3 | |
| SCHEMBL2870105 | 0.83 | CYP2D6 (0.39) | CASP3CASP7ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2356101-B1 | PYRIMIDINE- AND TRIAZINE-SULFONAMIDE DERIVATIVES AS BRADYKININ B1 RECEPTOR (B1R) INHIBITORS FOR THE TREATMENT OF PAIN | GRUENENTHAL GMBH (DE) | 2013-02-27 | — | — | EP | claimed |
| US-8269000-B2 | Substituted pyrimidine and triazine compounds | GRUENENTHAL GMBH (DE) | 2012-09-18 | — | — | US | claimed |
| US-20100173889-A1 | Substituted Pyrimidine and Triazine Compounds | GRUENENTHAL GMBH (DE) | 2010-07-08 | — | — | US | claimed |
| US-8269000-B2 | Substituted pyrimidine and triazine compounds | GRUENENTHAL GMBH (DE) | 2012-09-18 | — | — | US | disclosed |
| US-20100173889-A1 | Substituted Pyrimidine and Triazine Compounds | GRUENENTHAL GMBH (DE) | 2010-07-08 | — | — | US | 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-20100173889-A1 | Substituted Pyrimidine and Triazine Compounds | ADORA2B, CCNB1, TYMS | CASP3 1252/4885CASP7 1641/4885ALDH1A1 2375/4885 |
“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.