Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.54 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.43 |
| ▸ | RRM1 | P23921 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23839910 | 0.97 | ALDH1A1 (0.58) | KMT2ACYP2D6CYP2C9CYP2C19ALDH1A2 | |
| SCHEMBL23188735 | 0.97 | ALDH1A1 (0.58) | KMT2ACYP2D6CYP2C9CYP2C19ALDH1A2 | |
| SCHEMBL17777241 | 0.97 | ALDH1A1 (0.58) | KMT2ACYP2D6CYP2C9CYP2C19ALDH1A2 | |
| SCHEMBL22917014 | 0.94 | KMT2A (0.57) | KMT2ACYP2D6CYP2C9CYP2C19ALDH1A2 | |
| SCHEMBL7289085 | 0.91 | KMT2A (0.50) | KMT2ACYP2D6CYP2C9CYP2C19ALDH1A2 | |
| SCHEMBL7349570 | 0.91 | KMT2A (0.50) | KMT2ACYP2D6CYP2C9CYP2C19ALDH1A2 | |
| SCHEMBL1753873 | 0.91 | DPP7 (0.60) | KMT2ACYP2D6CYP2C9CYP2C19DPP7 | |
| SCHEMBL19961019 | 0.91 | KMT2A (0.50) | KMT2ACYP2D6CYP2C9CYP2C19ALDH1A2 | |
| SCHEMBL23696282 | 0.89 | ALDH1A1 (0.50) | KMT2ACYP2D6CYP2C9CYP2C19ALDH1A2 | |
| SCHEMBL22210631 | 0.89 | CYP2D6 (0.53) | KMT2ACYP2D6CYP2C9CYP2C19ALDH1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8143302-B2 | Methods and compositions for diagnostic and therapeutic targeting of COX-2 | VANDERBILT UNIVERSITY (US) | 2012-03-27 | — | — | US | disclosed |
| US-20100254910-A1 | METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 | VANDERBILT UNIVERSITY (US) | 2010-10-07 | — | — | US | disclosed |
| US-7736624-B2 | derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy | UNIV VANDERBILT (US) | 2010-06-15 | — | — | US | disclosed |
| US-20070292352-A1 | derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy | VANDERBILT UNIVERSITY (US) | 2007-12-20 | — | — | 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-20100254910-A1 | METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 | PTGS2, PTGES2, PTGER2 | KMT2A 4505/4885CYP2D6 3121/4885CYP2C9 4044/4885 |
| US-20070292352-A1 | derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy | PTGES2, PTGS2, PTGER2 | KMT2A 4709/4885CYP2D6 1020/4885CYP2C9 2245/4885 |
“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.