Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.43 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1599758 | 0.86 | CYP3A4 (0.54) | ALDH1A1MAPK1SMN1; SMN2CYP3A4CYP1A2 | |
| SCHEMBL477457 | 0.81 | MAPK1 (0.57) | ALDH1A1MAPK1SMN1; SMN2CYP3A4CYP1A2 | |
| SCHEMBL29399800 | 0.79 | ALDH1A1 (0.64) | HSD17B10ALDH1A1TDP1PGRAR | |
| SCHEMBL81382 | 0.79 | ALDH1A1 (0.64) | HSD17B10ALDH1A1TDP1PGRAR | |
| SCHEMBL6869336 | 0.78 | CYP3A4 (0.46) | HSD17B10ALDH1A1TDP1PGRAR | |
| Hydrogen Sulfide SCHEMBL30782703 | 0.77 | ALDH1A1 (0.62) | HSD17B10ALDH1A1TDP1PGRAR | |
| Hydrogen Sulfide SCHEMBL29194396 | 0.77 | ALDH1A1 (0.62) | HSD17B10ALDH1A1TDP1PGRAR | |
| SCHEMBL4816680 | 0.76 | KMT2A (0.63) | ALDH1A1SMN1; SMN2CYP3A4CYP1A2MAPT | |
| SCHEMBL4825484 | 0.75 | PTGS1 (0.58) | SLC6A2SLC6A3MAPK1CYP3A4CYP1A2 | |
| SCHEMBL18626121 | 0.75 | CYP3A4 (0.54) | ALDH1A1MAPK1SMN1; SMN2CYP3A4CYP1A2 |
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-86100669-A | The synthetic organic polymers that is used for selective flocculating floatation of titanium and iron ores | — | 1987-08-05 | — | — | CN | disclosed |