Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 4/20 | 0.57 |
| ▸ | KDR | P35968 | 2/20 | 0.56 |
| ▸ | IDH1 | O75874 | 13/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5365202 | 0.86 | BRAF (0.53) | BRAFKDRIDH1NPC1RAB9A | |
| SCHEMBL5359860 | 0.81 | BRAF (0.44) | BRAFKDRIDH1CYP3A4NPC1 | |
| SCHEMBL12413882 | 0.79 | BRAF (0.50) | BRAFKDRCYP3A4NPC1RAB9A | |
| SCHEMBL5439917 | 0.78 | DRD2 (0.67) | IDH1 | |
| SCHEMBL24726514 | 0.77 | IDH1 (0.70) | BRAFIDH1 | |
| SCHEMBL31020739 | 0.77 | BRAF (0.43) | BRAFKDRIDH1CYP3A4GAA | |
| SCHEMBL31746726 | 0.74 | ABL1 (0.43) | BRAFKDRIDH1 | |
| SCHEMBL5356773 | 0.74 | BRAF (0.46) | BRAFKDRIDH1NPC1RAB9A | |
| SCHEMBL6701000 | 0.74 | BRAF (0.67) | BRAFKDRCYP3A4 | |
| SCHEMBL6700997 | 0.74 | BRAF (0.67) | BRAFKDRCYP3A4 |
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-1699453-A4 | CYCLIC GUANIDINES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO INC (US) | 2009-07-01 | — | — | EP | disclosed |
| US-7301036-B2 | Cyclic guanidines, compositions containing such compounds and methods of use | MERCK & CO., INC. (US) | 2007-11-27 | — | — | US | disclosed |
| US-20070105930-A1 | Cyclic guanidines, compositions containing such compounds and methods of use | MERCK SHARP & DOHME LLC | 2007-05-10 | — | — | US | disclosed |
| EP-1699453-A1 | CYCLIC GUANIDINES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 2006-09-13 | — | — | EP | disclosed |
| WO-2005065680-A1 | CYCLIC GUANIDINES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 2005-07-21 | — | — | WO | 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-20070105930-A1 | Cyclic guanidines, compositions containing such compounds and methods of use | GCGR, GLP1R, GCG | BRAF 3178/4885KDR 1721/4885IDH1 4079/4885 |
“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.