Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | NPY1R | P25929 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | HK2 | P52789 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ALPI | P09923 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23067180 | 0.76 | FNTA (0.39) | KDM4EESR2ALDH1A1ESR1ADORA3 | |
| SCHEMBL29687718 | 0.72 | CTSS (0.44) | MAPT | |
| SCHEMBL5384282 | 0.71 | FNTA (0.39) | KDM4EESR2ALDH1A1ESR1ADORA3 | |
| SCHEMBL4132286 | 0.70 | KMT2A (0.54) | KDM4EALDH1A1MEN1LMNAPOLB | |
| SCHEMBL23067398 | 0.69 | AOC2 (0.41) | KDM4EESR2ALDH1A1ESR1ADORA3 | |
| Hydrochloric Acid SCHEMBL28371347 | 0.69 | KMT2A (0.53) | KDM4EALDH1A1MEN1LMNAPOLB | |
| Hydrochloric Acid SCHEMBL28371346 | 0.69 | KMT2A (0.53) | KDM4EALDH1A1MEN1LMNAPOLB | |
| SCHEMBL3467173 | 0.68 | SLC7A5 (0.54) | KDM4EALDH1A1ADORA3PTGS2MTOR | |
| SCHEMBL3467175 | 0.68 | SLC7A5 (0.54) | KDM4EALDH1A1ADORA3PTGS2MTOR | |
| SCHEMBL28564655 | 0.68 | PPARG (0.48) | KDM4EALDH1A1CYP2C9LMNAMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114423766-B | Pentane derivatives for the treatment of bacterial infections | 丹诺医药(苏州）有限公司 | 2024-05-17 | — | — | CN | disclosed |
| CN-114423766-A | Penicilliane derivatives for the treatment of bacterial infections | 丹诺医药(苏州）有限公司 | 2022-04-29 | — | — | CN | disclosed |