Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.30 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.30 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL28022645 | 0.81 | ALDH1A1 (0.61) | ALDH1A1DGAT1TSHRHCAR2KEAP1 | |
| Acetic Acid SCHEMBL2480774 | 0.78 | ALDH1A1 (0.57) | ALDH1A1DGAT1TSHR | |
| Malonic Acid SCHEMBL27995688 | 0.77 | LDHA (0.53) | ALDH1A1DGAT1TSHREGLN1 | |
| SCHEMBL16027996 | 0.76 | ALDH1A1 (0.30) | ALDH1A1DGAT1 | |
| Acetic Acid Methyl Ester SCHEMBL28167074 | 0.75 | ALDH1A1 (0.67) | ALDH1A1DGAT1TSHRHCAR2KEAP1 | |
| SCHEMBL9282077 | 0.75 | ALDH1A1 (0.53) | ALDH1A1DGAT1TSHRHCAR2KEAP1 | |
| Carbamic Acid SCHEMBL28118547 | 0.75 | ALDH1A1 (0.53) | ALDH1A1DGAT1TSHR | |
| Acetone SCHEMBL1822236 | 0.74 | ALDH1A1 (0.61) | ALDH1A1DGAT1TSHRHCAR2KEAP1 | |
| Methyl Carbamate SCHEMBL28045412 | 0.73 | ALDH1A1 (0.50) | ALDH1A1DGAT1TSHRHCAR2KEAP1 | |
| SCHEMBL29978 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107412788-A | The new compound being imaged for the Tau protein accumulated to intracerebral | 国立研究开发法人量子科学技术研究开发机构 | 2017-12-01 | — | — | CN | disclosed |
| CN-104736524-B | Novel compound for imaging Tau protein accumulated in brain | 国立研究开发法人量子科学技术研究开发机构 | 2017-06-23 | — | — | CN | disclosed |
| CN-104736524-A | Novel compound for imaging Tau protein accumulated in brain | NAT INST RADIOLOG | 2015-06-24 | — | — | CN | disclosed |