Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8699887 | 0.86 | NR4A2 (0.50) | CFTRALDH1A1KDM4EGLAGAA | |
| SCHEMBL8703951 | 0.86 | MKNK1 (0.50) | CFTRKDM4ENR4A2SLC2A1CYP19A1 | |
| SCHEMBL8704080 | 0.86 | CFTR (0.50) | CFTRALDH1A1NR4A2LMNAPOLB | |
| SCHEMBL8700823 | 0.84 | CFTR (0.48) | CFTRALDH1A1KDM4ENR4A2LMNA | |
| SCHEMBL8706107 | 0.83 | NR4A2 (0.45) | CFTRALDH1A1NR4A2SLC2A1CYP19A1 | |
| SCHEMBL8705680 | 0.83 | CFTR (0.47) | CFTRALDH1A1KDM4ENR4A2LMNA | |
| SCHEMBL8700512 | 0.83 | CFTR (0.45) | CFTRALDH1A1NR4A2LMNAPOLB | |
| SCHEMBL8700861 | 0.83 | CFTR (0.61) | CFTRALDH1A1KDM4ENR4A2SLC2A1 | |
| SCHEMBL8444418 | 0.81 | SLC9A1 (0.54) | — | |
| SCHEMBL4941143 | 0.77 | PTGS2 (0.56) | CFTRALDH1A1NR4A2SLC2A1CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5753680-A | Heterocyclyl-benzoylguanidines | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-05-19 | — | — | US | disclosed |