Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | LCK | P06239 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 7/20 | 0.50 |
| ▸ | CA9 | Q16790 | 7/20 | 0.50 |
| ▸ | CA4 | P22748 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 5/20 | 0.49 |
| ▸ | CA2 | P00918 | 5/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 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 | |
|---|---|---|---|---|
| SCHEMBL13290395 | 0.84 | PTGS2 (0.52) | PTGS2PTGS1HRH4MTNR1AMTNR1B | |
| SCHEMBL861694 | 0.82 | CA12 (0.74) | CA12CA9CA4PTGS2PTGS1 | |
| SCHEMBL14351108 | 0.81 | CA12 (0.62) | CA12CA9CA4CA1CA2 | |
| SCHEMBL13290332 | 0.81 | PTGS2 (0.57) | CA12CA9CA4CA1CA2 | |
| SCHEMBL13290371 | 0.81 | PTGS2 (0.54) | CA12CA9CA4CA1CA2 | |
| SCHEMBL878174 | 0.79 | PTGS2 (0.55) | CA12CA9CA4CA1CA2 | |
| SCHEMBL10147696 | 0.78 | NPC1 (0.49) | KDM4EALDH1A1CA12CA9CA4 | |
| SCHEMBL13290394 | 0.77 | PTGS2 (0.49) | CA12CA9CA4CA1CA2 | |
| SCHEMBL5272977 | 0.74 | KDM4E (0.76) | KDM4EALDH1A1HPGDLCKCYP2D6 | |
| SCHEMBL26968845 | 0.74 | KDM4E (0.64) | KDM4EALDH1A1HPGDLCKCYP2D6 |
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-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 |
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-20100254910-A1 | METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 | PTGS2, PTGES2, PTGER2 | KDM4E 4585/4885ALDH1A1 1584/4885HPGD 45/4885 |
“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.