Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 3/20 | 0.53 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.47 |
| ▸ | KLK1 | P06870 | 2/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.45 |
| ▸ | CNR2 | P34972 | 2/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.45 |
| ▸ | ELANE | P08246 | 2/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.45 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | FNTA | P49354 | 1/20 | 0.44 |
| ▸ | FNTB | P49356 | 1/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL6237837 | 0.83 | CA2 (0.56) | KMT2A | |
| SCHEMBL28756319 | 0.80 | KMT2A (0.63) | CHRNB2CHRNB4CHRNA3CHRNA4APEX1 | |
| SCHEMBL6161708 | 0.80 | CHRNB2 (0.59) | CHRM3KLKB1KLK1EPHX2CNR2 | |
| SCHEMBL15606149 | 0.79 | CHRNB2 (0.74) | EPHX2CNR2AKR1B1CHRNB2CHRNB4 | |
| SCHEMBL15562038 | 0.78 | EPHX2 (0.71) | CHRM3EPHX2NR1H4KDM1AHDAC1 | |
| SCHEMBL6164524 | 0.77 | CHRNB2 (0.67) | EPHX2CNR2AKR1B1CHRNB2CHRNB4 | |
| SCHEMBL18132545 | 0.77 | APEX1 (0.77) | EPHX2CNR2AKR1B1CHRNB2CHRNB4 | |
| SCHEMBL15606118 | 0.76 | CHRNB2 (0.58) | KLKB1KLK1EPHX2CNR2ELANE | |
| SCHEMBL15606117 | 0.76 | HDAC1 (0.54) | KLKB1KLK1EPHX2AKR1B1NR1H4 | |
| SCHEMBL22275672 | 0.76 | LMNA (0.70) | KLKB1KLK1EPHX2CNR2AKR1B1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6849648-B2 | Phenylene alkyne matrix metalloproteinase inhibitors | WARNER-LAMBERT COMPANY (US) | 2005-02-01 | — | — | US | claimed |
| EP-1434585-A1 | ALKYNE MATRIX METALLOPROTEINASE INHIBITORS | Warner-Lambert Company LLC (US) | 2004-07-07 | — | — | EP | claimed |
| US-20030144274-A1 | Alkyne matrix metalloproteinase inhibitors | BUNKER AMY MAE (US) | 2003-07-31 | — | — | US | claimed |
| WO-2003032999-A1 | ALKYNE MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2003-04-24 | — | — | WO | claimed |
| EP-1536786-A1 | COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | WARNER-LAMBERT COMPANY LLC (US) | 2005-06-08 | — | — | EP | disclosed |
| EP-1531904-A1 | COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB | Warner-Lambert Company LLC (US) | 2005-05-25 | — | — | EP | disclosed |
| US-6849648-B2 | Phenylene alkyne matrix metalloproteinase inhibitors | WARNER-LAMBERT COMPANY (US) | 2005-02-01 | — | — | US | disclosed |
| EP-1434585-A1 | ALKYNE MATRIX METALLOPROTEINASE INHIBITORS | Warner-Lambert Company LLC (US) | 2004-07-07 | — | — | EP | disclosed |
| US-20040034086-A1 | Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib | ROARK WILLIAM HOWARD (US) | 2004-02-19 | — | — | US | disclosed |
| US-20040034085-A1 | Combination of an allosteric inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib | ROARK WILLIAM HOWARD (US) | 2004-02-19 | — | — | US | disclosed |
| WO-2004007024-A1 | COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB | WARNER-LAMBERT COMPANY LLC (US) | 2004-01-22 | — | — | WO | disclosed |
| WO-2004006913-A1 | COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | WARNER-LAMBERT COMPANY LLC (US) | 2004-01-22 | — | — | WO | disclosed |
| US-20030144274-A1 | Alkyne matrix metalloproteinase inhibitors | BUNKER AMY MAE (US) | 2003-07-31 | — | — | US | disclosed |
| WO-2003032999-A1 | ALKYNE MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2003-04-24 | — | — | 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 (3 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-20040034086-A1 | Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib | MMP11, MMP13, MMP10 | CHRM3 2926/4885KLKB1 3083/4885KLK1 2526/4885 |
| US-20030144274-A1 | Alkyne matrix metalloproteinase inhibitors | MMP11, MMP13, MMP3 | CHRM3 3830/4885KLKB1 1815/4885KLK1 1134/4885 |
| US-20040034085-A1 | Combination of an allosteric inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib | MMP11, MMP13, MMP10 | CHRM3 3948/4885KLKB1 3549/4885KLK1 2875/4885 |
“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.