Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | CDC25A | P30304 | 1/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 SCHEMBL8520961 | 0.94 | SLC22A1 (0.36) | SLC22A1LMNAESR1ADORA3CDC25A | |
| Tetrabuthylammonium SCHEMBL5144551 | 0.82 | SLC22A1 (0.48) | SLC22A1LMNAESR1ADORA3CDC25A | |
| Tetrabuthylammonium SCHEMBL8330615 | 0.81 | SLC22A1 (0.52) | SLC22A1LMNAESR1ADORA3CDC25A | |
| Tetramethylammonium Ion SCHEMBL8330660 | 0.81 | ACHE (0.45) | LMNAESR1ADORA3CDC25AAGTR1 | |
| Lithium Ion SCHEMBL7569258 | 0.81 | — | — | |
| SCHEMBL7573469 | 0.81 | — | — | |
| Potassium Ion SCHEMBL7571421 | 0.81 | — | — | |
| Tetrabuthylammonium SCHEMBL26929180 | 0.80 | SLC22A1 (0.50) | SLC22A1LMNAESR1ADORA3CDC25A | |
| Tetrabuthylammonium SCHEMBL4622706 | 0.80 | LMNA (0.53) | SLC22A1LMNAESR1ADORA3CDC25A | |
| Tetrabuthylammonium SCHEMBL2824668 | 0.79 | SLC22A1 (0.55) | SLC22A1LMNAESR1ADORA3CDC25A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0948506-A1 | CYANOPHOSPHONATE DERIVATIVES | MONSANTO COMPANY (US) | 1999-10-13 | — | — | EP | claimed |
| US-5935542-A | Cyanphosphonate derivatives and method for their preparation | MONSANTO COMPANY (US) | 1999-08-10 | — | — | US | claimed |
| WO-1998029422-A1 | CYANOPHOSPHONATE DERIVATIVES | MONSANTO COMPANY (US) | 1998-07-09 | — | — | WO | claimed |