Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 2/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.34 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13614803 | 0.84 | TP53 (0.45) | ALDH1A1NISCHHDAC8KMOTP53 | |
| SCHEMBL13703909 | 0.83 | NISCH (0.50) | ALDH1A1ERN1NISCHKIF11KMO | |
| SCHEMBL12377626 | 0.81 | NISCH (0.52) | ALDH1A1ERN1NISCHKMOAKR1C3 | |
| SCHEMBL4567622 | 0.79 | ALDH1A1 (0.37) | ALDH1A1KIF11HDAC8AKR1C3AKR1C2 | |
| SCHEMBL172021 | 0.79 | PDE3B (0.41) | ALDH1A1KIF11HDAC8TP53TDP1 | |
| SCHEMBL4427979 | 0.79 | PDE3B (0.41) | ALDH1A1KIF11HDAC8TP53TDP1 | |
| SCHEMBL15834804 | 0.78 | ALDH1A1 (0.44) | ALDH1A1KIF11HDAC8TSHRESR1 | |
| SCHEMBL12428855 | 0.78 | NISCH (0.39) | ERN1NISCHKMOAKR1C3AKR1C2 | |
| SCHEMBL10018704 | 0.77 | NISCH (0.46) | ERN1NISCHKMOAKR1C3AKR1C2 | |
| SCHEMBL10014184 | 0.77 | NISCH (0.46) | ERN1NISCHKMOAKR1C3AKR1C2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103347864-B | Pyrimidone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA 2 | 葛兰素集团有限公司 | 2016-08-10 | — | — | CN | disclosed |
| EP-2116522-A1 | PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY | Chisso Corporation (JP) | 2009-11-11 | — | — | EP | disclosed |