Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2837088 | 0.95 | CA12 (0.37) | ALDH1A1USP2ITGB3ITGA2BCA12 | |
| SCHEMBL2840082 | 0.83 | CYP2D6 (0.41) | CYP2D6CYP3A4CYP1A2CYP2C9TSHR | |
| SCHEMBL2833077 | 0.80 | NAAA (0.33) | — | |
| SCHEMBL2834830 | 0.79 | SMN1; SMN2 (0.33) | CYP3A4CYP1A2TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL2839833 | 0.77 | BDKRB1 (0.42) | — | |
| SCHEMBL2837100 | 0.76 | OPRD1 (0.35) | ALDH1A1 | |
| SCHEMBL2364339 | 0.76 | CYP2D6 (0.42) | CYP2D6CYP3A4CYP1A2CYP2C9TSHR | |
| SCHEMBL2870105 | 0.75 | CYP2D6 (0.39) | CYP2D6CYP3A4CYP1A2CYP2C9TSHR | |
| SCHEMBL2836228 | 0.74 | GHSR (0.38) | CYP2D6CYP3A4CYP1A2CYP2C9TSHR | |
| SCHEMBL2830526 | 0.73 | CYP2D6 (0.39) | CYP2D6CYP3A4CYP1A2CYP2C9TSHR |
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 | CYP2D6 1157/4885CYP3A4 1682/4885CYP1A2 1085/4885 |
“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.