Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | TAS1R2 | Q8TE23 | 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 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | BID | P55957 | 3/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 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 | |
|---|---|---|---|---|
| Tetrabuthylammonium SCHEMBL10529065 | 0.83 | SLC22A1 (0.44) | SLC22A1SMN1; SMN2PKMSLC22A2ESR1 | |
| SCHEMBL28549816 | 0.79 | HCAR2 (0.39) | HCAR2ESR1ALDH1A1ALOX15TSHR | |
| Tetrabuthylammonium SCHEMBL29047726 | 0.76 | SLC22A1 (0.71) | SLC22A1SMN1; SMN2SLC22A2ESR1ALDH1A1 | |
| Tetrabuthylammonium SCHEMBL109268 | 0.76 | SLC22A1 (0.71) | SLC22A1SMN1; SMN2SLC22A2ESR1ALDH1A1 | |
| Butylamine SCHEMBL9766876 | 0.74 | HCAR2 (0.41) | SMN1; SMN2PKMHCAR2ESR1TAS1R3 | |
| Tetrabuthylammonium SCHEMBL16343544 | 0.74 | SLC22A1 (0.67) | SLC22A1SMN1; SMN2SLC22A2ESR1ALDH1A1 | |
| Tetrabuthylammonium SCHEMBL6356120 | 0.74 | SLC22A1 (0.67) | SLC22A1SMN1; SMN2SLC22A2ESR1ALDH1A1 | |
| Tetrabuthylammonium SCHEMBL29241995 | 0.74 | SLC22A1 (0.67) | SLC22A1SMN1; SMN2SLC22A2ESR1ALDH1A1 | |
| Tetrabuthylammonium SCHEMBL21372576 | 0.74 | SLC22A1 (0.67) | SLC22A1SMN1; SMN2SLC22A2ESR1ALDH1A1 | |
| Alcohol SCHEMBL29191762 | 0.74 | SMN1; SMN2 (0.43) | SMN1; SMN2PKMHCAR2ESR1TAS1R3 |
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-4652657-A | Chiral rhodium-diphosphine complexes | HOFFMANN-LA ROCHE INC. (US) | 1987-03-24 | — | — | US | disclosed |