Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.46 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 8/20 | 0.39 |
| ▸ | CES1 | P23141 | 5/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Tetrabuthylammonium SCHEMBL4934068 | 0.89 | SLC22A1 (0.43) | SLC22A1SLC22A2FAAHCES1CES2 | |
| Tetrabuthylammonium SCHEMBL2184844 | 0.86 | SLC22A1 (0.40) | SLC22A1SLC22A2FAAHCES1CES2 | |
| Tetrabuthylammonium SCHEMBL9495552 | 0.86 | SLC22A1 (0.40) | SLC22A1SLC22A2FAAHCES1CES2 | |
| Tetrabuthylammonium SCHEMBL107845 | 0.86 | SLC22A1 (0.52) | SLC22A1SLC22A2FAAHCES1CES2 | |
| SCHEMBL1701168 | 0.83 | SLC22A1 (0.38) | SLC22A1SLC22A2FAAHCES1CES2 | |
| Tetrabuthylammonium SCHEMBL7700891 | 0.83 | SLC22A1 (0.38) | SLC22A1SLC22A2FAAHCES1CES2 | |
| Tetrabuthylammonium SCHEMBL10529094 | 0.82 | SLC22A1 (0.48) | SLC22A1SLC22A2FAAHCES1CES2 | |
| Tetrapentylammonium SCHEMBL15355495 | 0.82 | SLC22A1 (0.52) | SLC22A1SLC22A2FAAHCES1CES2 | |
| Tetrahexylammonium SCHEMBL15355454 | 0.80 | SLC22A1 (0.54) | SLC22A1SLC22A2FAAHCES1CES2 | |
| Tetrabuthylammonium SCHEMBL2350563 | 0.79 | SLC22A1 (0.55) | SLC22A1SLC22A2CES1CES2HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0158875-B1 | CHIRAL-RHODIUM-DIPHOSPHINE COMPLEXES FOR ASYMETRIC HYDROGENATIONS | F. HOFFMANN-LA ROCHE AG (CH) | 1989-12-13 | — | — | EP | disclosed |