Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 10/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.53 |
| ▸ | HTR2C | P28335 | 7/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5653130 | 0.92 | HTR2A (0.51) | HTR2AKCNH2HTR2CL3MBTL1MBTD1 | |
| SCHEMBL5509619 | 0.86 | HTR2A (0.53) | HTR2AKCNH2HTR2CL3MBTL1MBTD1 | |
| SCHEMBL5513049 | 0.83 | HTR2A (0.51) | HTR2AKCNH2HTR2CL3MBTL1MBTD1 | |
| SCHEMBL14538284 | 0.82 | HTR2A (0.52) | HTR2AKCNH2HTR2CL3MBTL1MBTD1 | |
| SCHEMBL23423396 | 0.80 | HTR2A (0.51) | HTR2AKCNH2HTR2CDRD2ALDH1A1 | |
| SCHEMBL14501613 | 0.78 | HTR2A (0.58) | HTR2AKCNH2HTR2CALDH1A1POLB | |
| SCHEMBL5761130 | 0.77 | GAA (0.52) | ALDH1A1CA12CA1CA2CA5A | |
| SCHEMBL23374789 | 0.76 | NAMPT (0.54) | HTR2AKCNH2HTR2CDRD2ALDH1A1 | |
| SCHEMBL7022479 | 0.75 | HTR2A (0.63) | HTR2AKCNH2HTR2CDRD2CA12 | |
| SCHEMBL14538161 | 0.74 | ALDH1A1 (0.48) | L3MBTL1ALDH1A1POLBGAA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1511476-B1 | NOTA-LIKE MACROCYCLIC LIGANDS, COMPLEXES AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME | US GOV HEALTH & HUMAN SERV (US) | 2012-11-07 | — | — | EP | disclosed |
| US-7163935-B2 | Scorpionate-like pendant macrocyclic ligands, complexes and compositions thereof, and methods of using same | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2007-01-16 | — | — | US | disclosed |
| US-7081452-B2 | Scorpionate-like pendant macrocyclic ligands, complexes and compositions thereof, and methods of using same | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2006-07-25 | — | — | US | disclosed |
| US-20050123473-A1 | Scorpionate-like pendant macrocyclic ligands, complexes and compositions thereof, and methods of using same | GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRES BY THE SECRETARY, DEPT OF HEALTH AND HUMAN SER. (US) | 2005-06-09 | — | — | US | disclosed |
| US-20030228262-A1 | Scorpionate-like pendant macrocyclic ligands, complexes and compositions thereof, and methods of using same | THE GOVERNMENT OF THE UNITED STATES OF AMERICA | 2003-12-11 | — | — | 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-20050123473-A1 | Scorpionate-like pendant macrocyclic ligands, complexes and compositions thereof, and methods of using same | CXCR3, CCR5, CALCR | HTR2A 2815/4885KCNH2 1512/4885HTR2C 2170/4885 |
| US-20030228262-A1 | Scorpionate-like pendant macrocyclic ligands, complexes and compositions thereof, and methods of using same | CXCR3, CCR5, TAC3 | HTR2A 3134/4885KCNH2 1448/4885HTR2C 2479/4885 |
“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.