Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 5/20 | 0.56 |
| ▸ | MME | P08473 | 5/20 | 0.48 |
| ▸ | CTSK | P43235 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.48 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | HTR2B | P41595 | 2/20 | 0.46 |
| ▸ | ACE | P12821 | 2/20 | 0.44 |
| ▸ | CPA1 | P15085 | 1/20 | 0.44 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KLK7 | P49862 | 1/20 | 0.44 |
| ▸ | NTSR2 | O95665 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22127884 | 1.00 | CTSC (0.56) | CTSCMMECTSKKCNH2FOLH1 | |
| SCHEMBL6367397 | 1.00 | CTSC (0.56) | CTSCMMECTSKKCNH2FOLH1 | |
| SCHEMBL31206265 | 0.92 | CTSC (0.57) | CTSCMMEACE | |
| SCHEMBL33721998 | 0.92 | CTSC (0.57) | CTSCMMEACE | |
| SCHEMBL30567412 | 0.90 | CTSC (0.49) | CTSCCTSKKCNH2KLK7NTSR2 | |
| SCHEMBL30689140 | 0.90 | CTSC (0.50) | CTSCMMEFOLH1ACECPA1 | |
| SCHEMBL21808154 | 0.90 | CTSC (0.68) | CTSCMMECTSKKCNH2HTR2C | |
| SCHEMBL601567 | 0.90 | CTSC (0.68) | CTSCMMECTSKKCNH2HTR2C | |
| SCHEMBL31026629 | 0.90 | CTSC (0.68) | CTSCMMECTSKKCNH2HTR2C | |
| SCHEMBL28122660 | 0.90 | CTSC (0.68) | CTSCMMECTSKKCNH2HTR2C |
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 |
|---|---|---|---|---|---|---|---|
| US-6903075-B1 | Heterocyclic amide compounds as cell adhesion inhibitors | MERCK & CO., INC. (US) | 2005-06-07 | — | — | US | disclosed |
| CN-1265672-A | Sulphonylated dipeptide Compounds capable of inhibiting leukocyte adhesion mediated by VLA-4 | ELAND PHARMACEUTICALS CO (US) | 2000-09-06 | — | — | CN | disclosed |