Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.70 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.65 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.65 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.65 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.65 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.65 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.65 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.65 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.65 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.65 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.65 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.56 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.56 |
| ▸ | DRD2 | P14416 | 1/20 | 0.56 |
| ▸ | LTA4H | P09960 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL7887459 | 0.85 | GAA (0.61) | GAAHDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL6154064 | 0.83 | GAA (0.70) | GAAMEN1KMT2AOPRK1DRD2 | |
| SCHEMBL7179272 | 0.83 | MEN1 (0.68) | GAAHDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL6153849 | 0.82 | GAA (1.00) | GAAMEN1KMT2A | |
| SCHEMBL6699584 | 0.82 | JAK2 (0.50) | GAAHDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL1002852 | 0.82 | MEN1 (0.81) | MEN1KMT2ADRD2CHRM4 | |
| SCHEMBL2588250 | 0.81 | MEN1 (0.65) | HDAC1HDAC3HDAC4HDAC7HDAC2 | |
| SCHEMBL27630402 | 0.81 | DRD2 (0.71) | MEN1KMT2ADRD2 | |
| SCHEMBL3381905 | 0.81 | DRD2 (0.56) | GAAHDAC1HDAC3HDAC4HDAC7 | |
| Fumaric Acid SCHEMBL11496443 | 0.81 | HDAC1 (0.56) | HDAC1HDAC3HDAC4HDAC7HDAC2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9868730-B2 | Kappa opioid receptor selective compounds, compositions, and uses thereof | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-01-16 | — | — | US | disclosed |
| US-9868730-B2 | Kappa opioid receptor selective compounds, compositions, and uses thereof | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-01-16 | — | — | US | disclosed |
| US-20160002216-A1 | KAPPA OPIOID RECEPTOR SELECTIVE COMPOUNDS, COMPOSITIONS, AND USES THEREOF | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI | 2016-01-07 | — | — | US | disclosed |
| US-20160002216-A1 | KAPPA OPIOID RECEPTOR SELECTIVE COMPOUNDS, COMPOSITIONS, AND USES THEREOF | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI | 2016-01-07 | — | — | US | disclosed |
| WO-2014127256-A1 | KAPPA OPIOID RECEPTOR SELECTIVE COMPOUNDS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2014-08-21 | — | — | WO | disclosed |
| US-7122565-B2 | Thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors | WARNER-LAMBERT LLC (US) | 2006-10-17 | — | — | US | disclosed |
| EP-1326853-B1 | THIADIAZOLES AND OXADIAZOLES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS | WARNER LAMBERT CO (US) | 2005-09-07 | — | — | EP | disclosed |
| CN-1639141-A | Novel thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors | WARNER LAMBERT CO (US) | 2005-07-13 | — | — | CN | disclosed |
| US-20030045557-A1 | Thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors | WARNER-LAMBERT COMPANY | 2003-03-06 | — | — | 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-20160002216-A1 | KAPPA OPIOID RECEPTOR SELECTIVE COMPOUNDS, COMPOSITIONS, AND USES THEREOF | OPRK1, OPRL1, OPRM1 | GAA 2007/4885HDAC1 2825/4885HDAC3 1353/4885 |
| US-20030045557-A1 | Thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors | PDE3A, PDE3B, PDE7A | GAA 890/4885HDAC1 521/4885HDAC3 661/4885 |
“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.