Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | GHSR | Q92847 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 6/20 | 0.37 |
| ▸ | CASP7 | P55210 | 5/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | CASP2 | P42575 | 2/20 | 0.35 |
| ▸ | CASP9 | P55211 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP4 | P49662 | 1/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2835560 | 0.98 | CASP3 (0.39) | CYP2D6CYP3A4TSHRCYP1A2ALDH1A1 | |
| SCHEMBL2835785 | 0.88 | CYP2D6 (0.37) | CYP2D6CYP3A4TSHRCYP1A2ALDH1A1 | |
| SCHEMBL2832199 | 0.86 | HCRTR2 (0.40) | CASP3CASP7CASP2CASP9CASP1 | |
| SCHEMBL2835304 | 0.86 | CASP3 (0.39) | CYP2D6CYP3A4TSHRCYP1A2ALDH1A1 | |
| SCHEMBL2834128 | 0.84 | HCRTR2 (0.41) | CASP3CASP7CASP2CASP9CASP1 | |
| SCHEMBL2832054 | 0.83 | KDM4E (0.37) | ALDH1A1CASP3CASP7CASP2CASP9 | |
| SCHEMBL2833717 | 0.83 | CASP3 (0.37) | ALDH1A1CASP3CASP7CASP2CASP9 | |
| SCHEMBL2832257 | 0.83 | CASP3 (0.40) | CYP2D6CYP3A4TSHRCYP1A2ALDH1A1 | |
| SCHEMBL2832118 | 0.82 | CASP3 (0.38) | ALDH1A1CASP3CASP7CASP2CASP9 | |
| SCHEMBL2836668 | 0.81 | ALDH1A1 (0.40) | ALDH1A1HPGDCASP3CASP7CASP2 |
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 1682/4885TSHR 370/4885 |
“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.