Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13610372 | 0.81 | BCHE (0.43) | BCHEACHEEPHX1CA12CA1 | |
| SCHEMBL29203659 | 0.77 | BCHE (0.49) | BCHEACHEEPHX1CA12CA1 | |
| SCHEMBL29203658 | 0.77 | BCHE (0.49) | BCHEACHEEPHX1CA12CA1 | |
| SCHEMBL514636 | 0.77 | BCHE (0.53) | BCHEACHEEPHX1CA12CA1 | |
| SCHEMBL514635 | 0.77 | BCHE (0.49) | BCHEACHEEPHX1CA12CA1 | |
| SCHEMBL13610329 | 0.75 | IDO1 (0.54) | BCHEACHECA12CA1CA2 | |
| SCHEMBL20900978 | 0.74 | DAO (0.44) | BCHEACHEEPHX1CA12CA1 | |
| SCHEMBL21649315 | 0.74 | BCHE (0.50) | BCHEACHEEPHX1CA12CA1 | |
| SCHEMBL1352897 | 0.74 | ALDH1A1 (0.47) | BCHEACHEEPHX1CA12CA1 | |
| SCHEMBL1145528 | 0.74 | IDO1 (0.52) | BCHEACHEALDH1A1TSHRSLC6A4 |
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-7622507-B2 | Substituted organosulfur compounds and methods of using thereof | ACEA BIOSCIENCES INC. (US) | 2009-11-24 | — | — | US | disclosed |