Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MMP9 | P14780 | 2/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.32 |
| ▸ | ADAM9 | Q13443 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Diethyl Hydrogen Phosphate SCHEMBL28278164 | 0.90 | TSHR (0.41) | TSHRPOLBNPSR1NR1I2KCNH2 | |
| SCHEMBL27980233 | 0.83 | CHRM3 (0.39) | HPGDMEN1KMT2AALDH1A1GAA | |
| SCHEMBL27980234 | 0.83 | GAA (0.42) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Acetic Acid SCHEMBL27980261 | 0.82 | SMN1; SMN2 (0.39) | POLBHPGDMEN1KMT2AALDH1A1 | |
| SCHEMBL28276829 | 0.79 | CYP2D6 (0.36) | TSHRMAPK1MEN1KMT2ALMNA | |
| SCHEMBL27980239 | 0.78 | CHRM2 (0.33) | TSHRHPGDMAPK1MEN1KMT2A | |
| SCHEMBL27980063 | 0.69 | GAA (0.46) | TSHRPOLBMEN1KMT2ALMNA | |
| Diethyl Hydrogen Phosphate SCHEMBL27325757 | 0.68 | TSHR (0.57) | TSHRPOLBNPSR1NR1I2KCNH2 | |
| SCHEMBL12220240 | 0.67 | GAA (0.60) | TSHRHPGDKMT2AALDH1A1GAA | |
| Diethyl Hydrogen Phosphate SCHEMBL29281190 | 0.67 | TSHR (0.50) | TSHRPOLBNPSR1NR1I2KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104136585-A | Imidazolium salts as additives for fuels and combustibles | BASF SE | 2014-11-05 | — | — | CN | disclosed |