Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| Butanone SCHEMBL9752563 | 0.89 | — | — | |
| Butanone SCHEMBL28006612 | 0.86 | ALDH1A1 (0.56) | ALDH1A1TDP1CYP2C9FFAR3TSHR | |
| Butanone SCHEMBL459424 | 0.86 | — | — | |
| Butanone SCHEMBL11868748 | 0.83 | ALDH1A1 (0.67) | ALDH1A1TDP1CYP2C9FFAR3TSHR | |
| Butanone SCHEMBL28115460 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP2C9FFAR3 | |
| Butanone SCHEMBL27687826 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP2C9FFAR3TSHR | |
| Butanone SCHEMBL28321931 | 0.80 | ALDH1A1 (0.62) | ALDH1A1TDP1CYP2C9FFAR3TSHR | |
| Butanone SCHEMBL9115720 | 0.79 | ALDH1A1 (0.53) | ALDH1A1TDP1FFAR3TSHRTRPA1 | |
| Butanone SCHEMBL10420770 | 0.77 | — | — | |
| Butanone SCHEMBL28396391 | 0.76 | ALDH1A1 (0.56) | ALDH1A1TDP1CYP2C9FFAR3TRPA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100029577-A1 | Chiral separation, characterization and biological action of optically active isomers of digoxin | SOMBERG JOHN | 2010-02-04 | — | — | US | disclosed |
| US-20060069043-A1 | Chiral separation, characterization and biological action of optically active isomers of digoxin | SOMBERG JOHN C | 2006-03-30 | — | — | US | disclosed |
| WO-2005032560-A2 | BIOLOGICAL ACTION OF OPTICALLY ACTIVE ISOMERS OF DIGOXIN | SOMBERG JOHN CHARIN (US) | 2005-04-14 | — | — | 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 (2 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-20100029577-A1 | Chiral separation, characterization and biological action of optically active isomers of digoxin | TNNT2, TNNI3, TNNC1 | ALDH1A1 2378/4885TDP1 3903/4885CYP2C9 357/4885 |
| US-20060069043-A1 | Chiral separation, characterization and biological action of optically active isomers of digoxin | TNNI3, TNNT2, TNNC1 | ALDH1A1 2309/4885TDP1 3967/4885CYP2C9 368/4885 |
“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.