Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | FASN | P49327 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL19923331 | 0.85 | HMGCR (0.35) | — | |
| SCHEMBL9696159 | 0.79 | TSHR (0.55) | ALDH1A1FASNTSHR | |
| SCHEMBL3122524 | 0.79 | TSHR (0.55) | ALDH1A1FASNTSHR | |
| SCHEMBL19019745 | 0.79 | TSHR (0.55) | ALDH1A1FASNTSHR | |
| SCHEMBL1240702 | 0.79 | TSHR (0.55) | ALDH1A1FASNTSHR | |
| SCHEMBL19019743 | 0.79 | TSHR (0.55) | ALDH1A1FASNTSHR | |
| SCHEMBL10974945 | 0.79 | ALDH1A1 (0.50) | ALDH1A1FASNTSHR | |
| SCHEMBL10770695 | 0.79 | TSHR (0.38) | ALDH1A1FASNTSHRMAPT | |
| SCHEMBL9696124 | 0.79 | TSHR (0.55) | ALDH1A1FASNTSHR | |
| SCHEMBL9697099 | 0.79 | TSHR (0.55) | ALDH1A1FASNTSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10451641-B2 | Compositions and methods for metabolic profiling in subjects with heart failure with preserved ejection fraction | DUKE UNIVERSITY (US) | 2019-10-22 | — | — | US | disclosed |
| US-20180067137-A1 | COMPOSITIONS AND METHODS FOR METABOLIC PROFILING IN SUBJECTS WITH HEART FAILURE WITH PRESERVED EJECTION FRACTION | DUKE UNIVERSITY (US) | 2018-03-08 | — | — | US | disclosed |