Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ECE1 | P42892 | 1/20 | 0.34 |
| ▸ | MME | P08473 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
| ▸ | CPA1 | P15085 | 1/20 | 0.33 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.33 |
| ▸ | CTH | P32929 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7531638 | 0.87 | BIRC2 (0.35) | — | |
| SCHEMBL7529403 | 0.85 | NLRP3 (0.32) | — | |
| SCHEMBL7527903 | 0.85 | PTPRC (0.31) | — | |
| SCHEMBL7533557 | 0.83 | GAA (0.37) | ALDH1A1LMNAMAPT | |
| SCHEMBL7535733 | 0.81 | — | — | |
| SCHEMBL321159 | 0.80 | KDM4E (0.30) | MAPTPTGS2 | |
| SCHEMBL7526952 | 0.79 | ALDH1A1 (0.33) | ALDH1A1TDP1 | |
| Snap (S-Nitroso-N-Acetylpenicillamine) SCHEMBL139789 | 0.79 | KDM4E (0.33) | ALDH1A1MAPTPTGS2 | |
| Snap (S-Nitroso-N-Acetylpenicillamine) SCHEMBL2382771 | 0.79 | KDM4E (0.33) | ALDH1A1MAPTPTGS2 | |
| Snap (S-Nitroso-N-Acetylpenicillamine) SCHEMBL30480961 | 0.79 | KDM4E (0.33) | ALDH1A1MAPTPTGS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002016405-A1 | S-NITROSOTHIOLS AND THEIR USE AS MEDICAMENTS FOR CARDIOVASCULAR DISEASES | KING'S COLLEGE LONDON (GB) | 2002-02-28 | — | — | WO | claimed |
| WO-2002016405-A1 | S-NITROSOTHIOLS AND THEIR USE AS MEDICAMENTS FOR CARDIOVASCULAR DISEASES | KING'S COLLEGE LONDON (GB) | 2002-02-28 | — | — | WO | disclosed |