Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | HRH1 | P35367 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 3/20 | 0.35 |
| ▸ | CES1 | P23141 | 3/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8555026 | 0.95 | CA2 (0.44) | CA2CA1SLC6A2HRH1HRH3 | |
| SCHEMBL27525475 | 0.92 | CA2 (0.52) | CA2CA1KCNH2HDAC3HDAC4 | |
| SCHEMBL8552942 | 0.88 | CA2 (0.49) | CA2CA1FAAHCES1TDP1 | |
| SCHEMBL8551008 | 0.87 | CA2 (0.48) | CA2CA1FAAHCES1TDP1 | |
| SCHEMBL5496662 | 0.82 | CA2 (0.67) | CA2CA1PPARAPPARG | |
| SCHEMBL8301348 | 0.81 | CA1 (0.40) | CA2CA1KCNH2HDAC3HDAC4 | |
| SCHEMBL6905786 | 0.79 | KCNH2 (0.56) | SLC6A2HRH1HRH3CHRM2ADRA2C | |
| SCHEMBL27525477 | 0.79 | CA2 (0.54) | CA2CA1FAAHCES1 | |
| SCHEMBL8441263 | 0.78 | CA2 (0.53) | CA2CA1SIGMAR1FAAHCES1 | |
| SCHEMBL8077441 | 0.78 | CA2 (0.53) | CA2CA1SIGMAR1FAAHCES1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997002242-A1 | AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS | SMITHKLINE BEECHAM PLC (GB) | 1997-01-23 | — | — | WO | disclosed |