Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | CXCR4 | P61073 | 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 | |
|---|---|---|---|---|
| SCHEMBL19919593 | 0.86 | ESR1 (0.37) | ESR1ESR2 | |
| SCHEMBL18672324 | 0.77 | NOS1 (0.34) | ESR1ESR2CXCR4 | |
| SCHEMBL21250118 | 0.76 | SCN8A (0.34) | CXCR4 | |
| SCHEMBL26061532 | 0.75 | TRPM8 (0.34) | CXCR4 | |
| SCHEMBL25895511 | 0.74 | NOS3 (0.35) | ESR1ESR2CXCR4 | |
| SCHEMBL21536492 | 0.73 | HSD11B1 (0.35) | — | |
| SCHEMBL23790646 | 0.70 | CXCR4 (0.36) | CXCR4 | |
| SCHEMBL27407274 | 0.68 | SMN1; SMN2 (0.34) | ESR1ESR2CXCR4 | |
| SCHEMBL21675599 | 0.68 | ESR1 (0.37) | ESR1ESR2CXCR4 | |
| SCHEMBL25599636 | 0.67 | ESR1 (0.39) | ESR1ESR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10377745-B2 | Heterocyclic compounds as NaV channel inhibitors and uses thereof | MERCK PATENT GMBH (DE) | 2019-08-13 | — | — | 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-10377745-B2 | Heterocyclic compounds as NaV channel inhibitors and uses thereof | CACNA1B, CACNG6, SCN5A | ESR1 4314/4885ESR2 4639/4885CXCR4 1282/4885 |
“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.