Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 2/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.37 |
| ▸ | RELA | Q04206 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | PREP | P48147 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31605677 | 0.89 | MAPK1 (0.35) | NFKB1NFKB2RELAMAPK1HRH3 | |
| SCHEMBL16086104 | 0.86 | EPHX1 (0.37) | NFKB1NFKB2RELAMAPK1ALDH1A1 | |
| SCHEMBL18024844 | 0.86 | EPHX1 (0.37) | NFKB1NFKB2RELAMAPK1ALDH1A1 | |
| SCHEMBL16086105 | 0.86 | EPHX1 (0.37) | NFKB1NFKB2RELAMAPK1ALDH1A1 | |
| SCHEMBL19204882 | 0.82 | NFKB1 (0.37) | NFKB1NFKB2RELAALDH1A1MAPT | |
| SCHEMBL15324962 | 0.78 | — | — | |
| SCHEMBL6641149 | 0.78 | — | — | |
| SCHEMBL29010498 | 0.78 | MAPK1 (0.43) | NFKB1NFKB2RELAMAPK1ALDH1A1 | |
| SCHEMBL2535414 | 0.77 | MAPK1 (0.42) | NFKB1NFKB2RELAMAPK1HRH3 | |
| SCHEMBL775683 | 0.77 | MAPT (0.34) | ALDH1A1MAPTUSP2ALOX15TDP1 |
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-20090018184-A1 | Polyether Brevetoxin Derivatives as a Treatment for Cystic Fibrosis, Mucociliary Dysfunction, and Pulmonary Diseases | UNIVERSITY OF NORTH CAROLINA AT WILMINGTON | 2009-01-15 | — | — | US | disclosed |
| US-20090018184-A1 | Polyether Brevetoxin Derivatives as a Treatment for Cystic Fibrosis, Mucociliary Dysfunction, and Pulmonary Diseases | UNIVERSITY OF NORTH CAROLINA AT WILMINGTON | 2009-01-15 | — | — | US | disclosed |
| US-7399782-B2 | Polyether brevetoxin derivatives as a treatment for cystic fibrosis, mucociliary dysfunction, and pulmonary diseases | UNIVERSITY OF NORTH CAROLINA AT WILMINGTON (US) | 2008-07-15 | — | — | US | disclosed |
| EP-1318811-B1 | CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2006-08-30 | — | — | EP | disclosed |
| EP-1318811-A4 | CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2004-07-14 | — | — | EP | disclosed |
| EP-1318811-A1 | CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2003-06-18 | — | — | EP | disclosed |
| US-6545023-B2 | For treating rheumatoid arthritis; for examle, 1-(4-(4-fluorophenyl)piperidin-1-yl),3-(2-methoxy-4 -chlorobenzylaminocarbonyl),3-isopropyl-cyclopentane | MERCK & CO., INC. | 2003-04-08 | — | — | US | disclosed |
| US-20020049222-A1 | Cyclopentyl modulators of chemokine receptor activity | MERCK SHARP & DOHME CORP. | 2002-04-25 | — | — | US | disclosed |
| WO-2002013824-A1 | CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2002-02-21 | — | — | 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-20020049222-A1 | Cyclopentyl modulators of chemokine receptor activity | CCR1, CCRL2, CCR5 | NFKB1 1272/4885NFKB2 1741/4885RELA 2113/4885 |
| US-20090018184-A1 | Polyether Brevetoxin Derivatives as a Treatment for Cystic Fibrosis, Mucociliary Dysfunction, and Pulmonary Diseases | CFTR, MUC1, SLC47A1 | NFKB1 3445/4885NFKB2 2201/4885RELA 2418/4885 |
“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.