Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL15154440 | 1.00 | CYP2D6 (0.41) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL9978529 | 1.00 | CYP2D6 (0.41) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL16716800 | 0.80 | HDAC3 (0.39) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL12252985 | 0.80 | HDAC3 (0.39) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL16716804 | 0.80 | HDAC3 (0.39) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL3732378 | 0.78 | CYP2D6 (0.42) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL3732375 | 0.78 | CYP2D6 (0.42) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL24445633 | 0.76 | HDAC3 (0.41) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL3739638 | 0.74 | CYP2D6 (0.40) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL3739635 | 0.74 | CYP2D6 (0.40) | CYP2D6HDAC3HDAC1HDAC2HDAC8 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2575467-B1 | MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASES | UNIV COLORADO REGENTS (US) | 2016-07-06 | — | — | EP | disclosed |
| US-8754050-B2 | Macrocyclic compounds useful as inhibitors of histone deacetylases | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2014-06-17 | — | — | US | disclosed |
| US-20130203681-A1 | Macrocyclic Compounds Useful as Inhibitors of Histone Deacetylases | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2013-08-08 | — | — | US | disclosed |
| EP-2575467-A1 | MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASES | The Regents of the University of Colorado, A Body Corporate (US) | 2013-04-10 | — | — | EP | disclosed |
| WO-2011150283-A1 | MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASES | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2011-12-01 | — | — | 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 (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-20130203681-A1 | Macrocyclic Compounds Useful as Inhibitors of Histone Deacetylases | HDAC1, HDAC11, HDAC3 | CYP2D6 4333/4885HDAC3 3/4885HDAC1 1/4885 |
“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.