Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 6/20 | 0.77 |
| ▸ | FAAH | O00519 | 1/20 | 0.73 |
| ▸ | MGLL | Q99685 | 1/20 | 0.73 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.67 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.67 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.67 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.67 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.67 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.67 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.67 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.67 |
| ▸ | G6PD | P11413 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL79203 | 0.87 | CASP3 (1.00) | CASP3FAAHMGLLHDAC3HDAC4 | |
| SCHEMBL18872061 | 0.86 | CASP3 (0.79) | CASP3FAAHMGLLHDAC3HDAC4 | |
| SCHEMBL17515278 | 0.84 | CASP3 (0.77) | CASP3FAAHMGLLHDAC3HDAC4 | |
| SCHEMBL24327914 | 0.84 | CASP3 (1.00) | CASP3FAAHMGLLHDAC3HDAC4 | |
| SCHEMBL21846444 | 0.81 | CASP3 (0.81) | CASP3FAAHMGLLHDAC3HDAC4 | |
| SCHEMBL17515279 | 0.81 | CASP3 (1.00) | CASP3FAAHMGLLHDAC3HDAC4 | |
| SCHEMBL8222491 | 0.81 | CASP3 (0.75) | CASP3FAAHMGLLHDAC3HDAC4 | |
| SCHEMBL24327473 | 0.81 | CASP3 (0.72) | CASP3FAAHMGLLHDAC3HDAC4 | |
| SCHEMBL8230178 | 0.80 | HDAC1 (1.00) | CASP3FAAHMGLLHDAC3HDAC4 | |
| SCHEMBL13606231 | 0.80 | HDAC3 (0.72) | CASP3FAAHMGLLHDAC3HDAC4 |
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-20240216365-A1 | METHODS AND USES OF PROTEIN DISULFIDE ISOMERASE INHIBITORY COMPOUNDS | THE UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) | 2024-07-04 | — | — | US | disclosed |
| US-20180092908-A1 | SMALL MOLECULE OXIDIZERS OF PDI AND THEIR USE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2018-04-05 | — | — | US | disclosed |
| US-20180092908-A1 | SMALL MOLECULE OXIDIZERS OF PDI AND THEIR USE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2018-04-05 | — | — | 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 (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-20180092908-A1 | SMALL MOLECULE OXIDIZERS OF PDI AND THEIR USE | PDIA5, PDIA4, PDIA6 | CASP3 2233/4885FAAH 2785/4885MGLL 3406/4885 |
| US-20240216365-A1 | METHODS AND USES OF PROTEIN DISULFIDE ISOMERASE INHIBITORY COMPOUNDS | PDIA3, PDIA4, PDIA5 | CASP3 1339/4885FAAH 1576/4885MGLL 1530/4885 |
“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.