Known targets — ChEMBL curated mechanism
ATP1A1ATP1A2ATP1A3ATP1A4ATP1B1ATP1B2ATP1B3FXYD2
The experimentally established mechanism targets of Digitoxin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATP1A1 known ✓ | P05023 | 10/20 | 1.00 |
| ▸ | ATP1B1 known ✓ | P05026 | 10/20 | 1.00 |
| ▸ | ATP1A3 known ✓ | P13637 | 10/20 | 1.00 |
| ▸ | ATP1B2 known ✓ | P14415 | 10/20 | 1.00 |
| ▸ | ATP1A2 known ✓ | P50993 | 10/20 | 1.00 |
| ▸ | ATP1B3 known ✓ | P54709 | 10/20 | 1.00 |
| ▸ | FXYD2 known ✓ | P54710 | 10/20 | 1.00 |
| ▸ | ATP1A4 known ✓ | Q13733 | 10/20 | 1.00 |
| ▸ | TP53 | P04637 | 5/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 1.00 |
| ▸ | LMNA | P02545 | 5/20 | 1.00 |
| ▸ | NPC1 | O15118 | 2/20 | 1.00 |
| ▸ | STAT3 | P40763 | 2/20 | 1.00 |
| ▸ | RAB9A | P51151 | 2/20 | 1.00 |
| ▸ | USP2 | O75604 | 1/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 1/20 | 1.00 |
| ▸ | MAPT | P10636 | 1/20 | 1.00 |
| ▸ | SLCO4C1 | Q6ZQN7 | 1/20 | 1.00 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.81 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.81 |
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 | |
|---|---|---|---|---|
| Digitoxin SCHEMBL17864034 | 1.00 | ATP1A1 (1.00) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Digitoxin SCHEMBL18949488 | 1.00 | ATP1A1 (1.00) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Digitoxin SCHEMBL2321116 | 1.00 | ATP1A1 (1.00) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Digitoxin SCHEMBL12038722 | 1.00 | ATP1A1 (1.00) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Digitoxin SCHEMBL16442430 | 1.00 | ATP1A1 (1.00) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Digitoxin SCHEMBL17862021 | 1.00 | ATP1A1 (1.00) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Digitoxin SCHEMBL20940 | 1.00 | ATP1A1 (1.00) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Digitoxin SCHEMBL20582729 | 1.00 | ATP1A1 (1.00) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Digitoxin SCHEMBL20970016 | 1.00 | ATP1A1 (1.00) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Digitoxin SCHEMBL18542099 | 1.00 | ATP1A1 (1.00) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 |
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-20200138832-A1 | COMPOUNDS AND PRODRUGS THEREOF FOR THE TREATMENT OF OPHTHALMIC DISEASE | THE REGENTS OF THE UNIVERSITY OF MICHIGAN | 2020-05-07 | — | — | US | disclosed |
| US-9675623-B2 | Non-surgical method of treatment for cataract | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2017-06-13 | — | — | US | disclosed |
| US-9675623-B2 | Non-surgical method of treatment for cataract | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2017-06-13 | — | — | 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-20200138832-A1 | COMPOUNDS AND PRODRUGS THEREOF FOR THE TREATMENT OF OPHTHALMIC DISEASE | CRYAB, CRYAA, CRYZ | ATP1A1 1132/4885ATP1B1 511/4885ATP1A3 1233/4885 |
“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.