Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.45 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.45 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16953748 | 0.83 | PDK1 (0.45) | PDK1PDK2PDK3PDK4LMNA | |
| SCHEMBL4923169 | 0.83 | ALDH1A1 (0.47) | PDK1PDK2PDK3PDK4LMNA | |
| SCHEMBL498003 | 0.82 | TSHR (0.55) | LMNATSHRSLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL25044297 | 0.81 | LMNA (0.46) | LMNATSHRNR4A2ALDH1A1CFTR | |
| SCHEMBL9108150 | 0.81 | CA1 (0.48) | LMNATSHRNR4A2SLC6A3ALDH1A1 | |
| SCHEMBL993113 | 0.80 | TSHR (0.59) | PDK1PDK2PDK3PDK4LMNA | |
| SCHEMBL16719456 | 0.80 | TSHR (0.44) | LMNATSHRNR4A2SLC6A3ALDH1A1 | |
| Benzene SCHEMBL28861660 | 0.80 | LMNA (0.44) | LMNATSHRSLC6A3ALDH1A1CFTR | |
| SCHEMBL24626055 | 0.80 | TSHR (0.44) | LMNATSHRNR4A2SLC6A4SLC6A3 | |
| SCHEMBL16719514 | 0.80 | ALDH1A1 (0.51) | LMNATSHRALDH1A1CFTRHSD17B10 |
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-3997096-A1 | NEW HETEROCYCLIC COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2022-05-18 | — | — | EP | disclosed |