Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 7/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.48 |
| ▸ | SLC7A5 | Q01650 | 6/20 | 0.42 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Propiolic Acid SCHEMBL143598 | 0.89 | SLC6A4 (0.53) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| SCHEMBL5398425 | 0.83 | SLC6A4 (0.66) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| Propiolic Acid SCHEMBL4729432 | 0.79 | SLC6A4 (0.79) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| SCHEMBL143599 | 0.77 | SLC6A4 (0.44) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| SCHEMBL7056008 | 0.74 | SLC6A4 (0.66) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| Oxalic Acid SCHEMBL7310720 | 0.74 | SLC6A4 (0.58) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| Maleic Acid SCHEMBL7312418 | 0.73 | SLC6A2 (0.54) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| Fumaric Acid SCHEMBL7312428 | 0.73 | SLC6A2 (0.54) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| SCHEMBL1045800 | 0.72 | SLC6A4 (0.71) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| SCHEMBL144865 | 0.72 | SLC6A4 (0.56) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 |
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-2008033466-A2 | COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES | COMBINATORX (SINGAPORE) PRE. LTD. (SG) | 2008-03-20 | — | — | WO | disclosed |