Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.46 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CFTR | P13569 | 1/20 | 0.39 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4995654 | 0.84 | ALDH1A1 (0.43) | ALDH1A1PLA2G1BATG4BKDM4EHPGD | |
| SCHEMBL1711500 | 0.79 | ALDH1A1 (0.56) | ALDH1A1PLA2G1BATG4BKDM4EHPGD | |
| SCHEMBL1666315 | 0.73 | ALDH1A1 (0.50) | ALDH1A1PLA2G1BATG4BKDM4EHPGD | |
| SCHEMBL31619320 | 0.71 | ALDH1A1 (0.48) | ALDH1A1PLA2G1BATG4BKDM4EHPGD | |
| SCHEMBL31217568 | 0.70 | SIRT1 (0.46) | ALDH1A1KDM4EHPGDMAPTLMNA | |
| SCHEMBL27175930 | 0.68 | ALDH1A1 (0.90) | ALDH1A1PLA2G1BATG4BKDM4EHPGD | |
| SCHEMBL1666910 | 0.68 | KDM4E (0.55) | ALDH1A1PLA2G1BATG4BKDM4EHPGD | |
| SCHEMBL27182351 | 0.67 | ALDH1A1 (0.45) | ALDH1A1PLA2G1BATG4BKDM4EHPGD | |
| SCHEMBL7512827 | 0.67 | ALDH1A1 (0.47) | ALDH1A1PLA2G1BATG4BKDM4EHPGD | |
| SCHEMBL7508014 | 0.67 | ALDH1A1 (1.00) | ALDH1A1PLA2G1BATG4BKDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010125782-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL BACTERICIDE | 日本曹達株式会社 (JP) | 2010-11-04 | — | — | WO | disclosed |