Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30047914 | 0.90 | PDK1 (0.42) | PDK1CYP11B2MAPTKDM4EALDH1A1 | |
| SCHEMBL23857472 | 0.90 | PDK1 (0.42) | PDK1CYP11B2MAPTKDM4EALDH1A1 | |
| SCHEMBL30047076 | 0.89 | PDK1 (0.40) | PDK1CYP11B2MAPTKDM4EALDH1A1 | |
| SCHEMBL23857628 | 0.89 | PDK1 (0.40) | PDK1CYP11B2MAPTKDM4EALDH1A1 | |
| SCHEMBL8094724 | 0.79 | PDK1 (0.54) | PDK1MAPTKDM4EALDH1A1TSHR | |
| SCHEMBL30047248 | 0.71 | KDM4E (0.39) | PDK1CYP11B2MAPTKDM4EALDH1A1 | |
| SCHEMBL23856999 | 0.71 | KDM4E (0.39) | PDK1CYP11B2MAPTKDM4EALDH1A1 | |
| SCHEMBL23856851 | 0.71 | MAPT (0.42) | PDK1CYP11B2MAPTKDM4EALDH1A1 | |
| SCHEMBL30047537 | 0.71 | MAPT (0.42) | PDK1CYP11B2MAPTKDM4EALDH1A1 | |
| SCHEMBL8100992 | 0.68 | PDK1 (0.52) | PDK1MAPTKMT2ARAB9A |
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-4126855-A1 | COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION | F. Hoffmann-La Roche AG (CH) | 2023-02-08 | — | — | EP | disclosed |