Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | BLM | P54132 | 2/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
| ▸ | SCN4A | P35499 | 1/20 | 0.34 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1286941 | 0.79 | FNTA (0.34) | ALDH1A1POLBRXFP1KDM4EMAPT | |
| SCHEMBL5958156 | 0.75 | ABL1 (0.34) | ALDH1A1BACE1POLBRXFP1KDM4E | |
| SCHEMBL6536476 | 0.69 | MEN1 (0.31) | BLMKMT2A | |
| SCHEMBL23648186 | 0.68 | CYP1A2 (0.32) | — | |
| SCHEMBL9662746 | 0.66 | GDA (0.30) | — | |
| SCHEMBL4267183 | 0.64 | — | — | |
| SCHEMBL13946583 | 0.57 | KDM4E (0.54) | ALDH1A1KDM4EMAPTCYP3A4LMNA | |
| SCHEMBL23691776 | 0.57 | ALDH1A1 (0.35) | ALDH1A1POLBRXFP1BLMKMT2A | |
| SCHEMBL6425456 | 0.57 | CYP2C9 (0.59) | ALDH1A1BACE1BACE2MAPTCYP2C9 | |
| SCHEMBL30464742 | 0.56 | GSK3B (0.43) | ALDH1A1BACE1BACE2POLBKDM4E |
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-2008094203-A2 | POLAR ESTER PRODRUGS OF HETEROCYCLIC HYBRID ANTIBACTERIAL COMPOUNDS AND SALTS THEREOF | MICROBIOTIX, INC. (US) | 2008-08-07 | — | — | WO | disclosed |