Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | BCR | P11274 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4963366 | 0.82 | HTT (0.42) | ALDH1A1NPC1RAB9APOLBMAPT | |
| SCHEMBL4958946 | 0.79 | RAB9A (0.43) | KMT2ASLC6A7ALDH1A1GAACES2 | |
| SCHEMBL4958812 | 0.73 | ABL1 (0.40) | KMT2AMEN1USP2CYP1A2CYP3A4 | |
| SCHEMBL4957447 | 0.72 | PTGS2 (0.57) | — | |
| SCHEMBL4960341 | 0.72 | USP2 (0.52) | KMT2AMEN1TSHRALDH1A1USP2 | |
| SCHEMBL9397130 | 0.68 | POLB (0.54) | KMT2AMEN1TSHRALDH1A1GAA | |
| SCHEMBL8586217 | 0.67 | KMT2A (0.66) | KMT2AMEN1ALDH1A1USP2CYP1A2 | |
| SCHEMBL14415753 | 0.67 | CES2 (0.52) | KMT2AMEN1TSHRALDH1A1GAA | |
| SCHEMBL806857 | 0.66 | KCNK3 (0.64) | KMT2AMEN1TSHRALDH1A1CES2 | |
| SCHEMBL4136803 | 0.66 | CES2 (0.50) | KMT2AMEN1TSHRALDH1A1USP2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1542972-A4 | CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2008-01-23 | — | — | EP | disclosed |
| US-20070238735-A1 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITRODMED, INC. (US) | 2007-10-11 | — | — | US | disclosed |
| US-7244753-B2 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2007-07-17 | — | — | US | disclosed |
| EP-1542972-A2 | CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-06-22 | — | — | EP | disclosed |
| US-20040072883-A1 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITROMED, INC. | 2004-04-15 | — | — | US | disclosed |
| WO-2004010945-A2 | CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2004-02-05 | — | — | 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 (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-20040072883-A1 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | PTGS2, PTGIS, PTGES2 | KMT2A 3968/4885SLC6A7 3032/4885MEN1 4470/4885 |
| US-20070238735-A1 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | PTGS2, PTGIS, PTGS1 | KMT2A 3840/4885SLC6A7 3063/4885MEN1 4597/4885 |
“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.