Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 6/20 | 0.57 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.57 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.57 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.51 |
| ▸ | FAAH | O00519 | 1/20 | 0.48 |
| ▸ | MGLL | Q99685 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7641537 | 1.00 | AKR1C3 (0.57) | AKR1C3AKR1C2AKR1C1MAOBPTGS2 | |
| SCHEMBL7641541 | 1.00 | AKR1C3 (0.57) | AKR1C3AKR1C2AKR1C1MAOBPTGS2 | |
| SCHEMBL5142186 | 0.86 | MAOB (0.51) | AKR1C3AKR1C2AKR1C1MAOBPTGS2 | |
| SCHEMBL5142185 | 0.86 | MAOB (0.51) | AKR1C3AKR1C2AKR1C1MAOBPTGS2 | |
| SCHEMBL7844135 | 0.84 | PTGS2 (0.57) | AKR1C3AKR1C2AKR1C1PTGS2FAAH | |
| SCHEMBL7841948 | 0.80 | BCAT2 (0.44) | AKR1C3AKR1C2AKR1C1PTGS2 | |
| SCHEMBL7814053 | 0.78 | MAOB (0.63) | AKR1C3AKR1C2AKR1C1MAOBPTGS2 | |
| SCHEMBL7092978 | 0.76 | AKR1C3 (0.48) | AKR1C3AKR1C2AKR1C1MAOBPTGS2 | |
| SCHEMBL7093641 | 0.76 | AKR1C3 (0.48) | AKR1C3AKR1C2AKR1C1MAOBPTGS2 | |
| SCHEMBL265232 | 0.75 | PTGS2 (0.69) | AKR1C3AKR1C2AKR1C1MAOBPTGS2 |
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-20090192211-A1 | CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION | CHEN YING-NAN PAN | 2009-07-30 | — | — | US | disclosed |
| US-20090192211-A1 | CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION | CHEN YING-NAN PAN | 2009-07-30 | — | — | US | disclosed |
| US-7521435-B2 | Silicon containing compounds having selective COX-2 inhibitory activity and methods of making and using the same | PHARMA DIAGNOSTICS, N.V. (BE) | 2009-04-21 | — | — | US | disclosed |
| US-20080227845-A1 | CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION | CHEN YING-NAN PAN | 2008-09-18 | — | — | US | disclosed |
| US-20080227845-A1 | CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION | CHEN YING-NAN PAN | 2008-09-18 | — | — | US | disclosed |
| US-7402603-B2 | Cyclooxygenase-2 inhibitor/histone deacetylase inhibitor combination | NOVARTIS AG (CH) | 2008-07-22 | — | — | US | disclosed |
| US-7402603-B2 | Cyclooxygenase-2 inhibitor/histone deacetylase inhibitor combination | NOVARTIS AG (CH) | 2008-07-22 | — | — | US | disclosed |
| US-7345088-B2 | Pharmaceutical composition for use for the treatment of malignancies comprising in combination a bisphosphonates, a cox-2 inhibitor and a taxol | PENN STATE RESEARCH FOUNDATION (US) | 2008-03-18 | — | — | US | disclosed |
| US-7345088-B2 | Pharmaceutical composition for use for the treatment of malignancies comprising in combination a bisphosphonates, a cox-2 inhibitor and a taxol | PENN STATE RESEARCH FOUNDATION (US) | 2008-03-18 | — | — | 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-20090192211-A1 | CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION | HDAC2, HDAC9, HDAC1 | AKR1C3 2117/4885AKR1C2 2068/4885AKR1C1 2445/4885 |
| US-20080227845-A1 | CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION | HDAC2, HDAC9, HDAC1 | AKR1C3 2117/4885AKR1C2 2068/4885AKR1C1 2445/4885 |
“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.