Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | GLA | P06280 | 2/20 | 0.56 |
| ▸ | P2RX4 | Q99571 | 6/20 | 0.53 |
| ▸ | DHFR | P00374 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | FABP3 | P05413 | 1/20 | 0.41 |
| ▸ | FABP4 | P15090 | 1/20 | 0.41 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4381323 | 0.90 | CYP1A2 (0.52) | ALDH1A1GLAKDM4ECYP1A2CYP2C19 | |
| SCHEMBL31240141 | 0.90 | CYP1A2 (0.52) | ALDH1A1GLAKDM4ECYP1A2CYP2C19 | |
| SCHEMBL4378748 | 0.89 | KDM4E (0.50) | ALDH1A1GLAKDM4ECYP1A2CYP2C19 | |
| SCHEMBL13825812 | 0.79 | APEX1 (0.52) | ALDH1A1KDM4EPOLBL3MBTL1 | |
| SCHEMBL31124810 | 0.73 | ALDH1A1 (0.60) | ALDH1A1GLAP2RX4DHFRKDM4E | |
| SCHEMBL31240121 | 0.73 | TSPO (0.52) | — | |
| SCHEMBL23544446 | 0.72 | ALDH1A1 (0.64) | ALDH1A1GLAP2RX4DHFRKDM4E | |
| SCHEMBL116890 | 0.72 | ALDH1A1 (1.00) | ALDH1A1GLAP2RX4DHFRKDM4E | |
| SCHEMBL15958886 | 0.72 | ALDH1A1 (0.64) | ALDH1A1GLAP2RX4DHFRKDM4E | |
| SCHEMBL27635052 | 0.72 | ALDH1A1 (0.64) | ALDH1A1GLAP2RX4DHFRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2522394-A2 | Substituted phosphonates and their use decreasing amyloid aggregates | QUEEN MARY & WESTFIELD COLLEGE (GB) | 2012-11-14 | — | — | EP | disclosed |