Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | LGMN | Q99538 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23857269 | 1.00 | ALDH1A1 (0.50) | ALDH1A1KDM4ETDP1SMN1; SMN2TSHR | |
| SCHEMBL30334623 | 0.92 | ALDH1A1 (0.45) | ALDH1A1KDM4ETDP1SMN1; SMN2TSHR | |
| SCHEMBL9370934 | 0.92 | ALDH1A1 (0.45) | ALDH1A1KDM4ETDP1SMN1; SMN2TSHR | |
| SCHEMBL23856566 | 0.85 | KDM4E (0.48) | ALDH1A1KDM4ETDP1SMN1; SMN2TSHR | |
| SCHEMBL30049087 | 0.85 | KDM4E (0.48) | ALDH1A1KDM4ETDP1SMN1; SMN2TSHR | |
| SCHEMBL31143045 | 0.82 | ALDH1A1 (0.48) | ALDH1A1KDM4ETDP1POLBKMT2A | |
| SCHEMBL23857719 | 0.82 | KDM1A (0.44) | ALDH1A1TDP1SMN1; SMN2NPSR1L3MBTL1 | |
| SCHEMBL29203058 | 0.82 | ALDH1A1 (0.41) | ALDH1A1KDM4ETDP1SMN1; SMN2TSHR | |
| SCHEMBL23856900 | 0.82 | ALDH1A1 (0.39) | ALDH1A1KDM4ETDP1SMN1; SMN2TSHR | |
| SCHEMBL23856657 | 0.82 | ALDH1A1 (0.41) | ALDH1A1KDM4ETDP1SMN1; SMN2TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117980303-A | Novel compounds and their use in the treatment of bacterial infections | 豪夫迈·罗氏有限公司 | 2024-05-03 | — | — | CN | disclosed |
| EP-4126855-A1 | COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION | F. Hoffmann-La Roche AG (CH) | 2023-02-08 | — | — | EP | disclosed |
| CN-115298176-A | Compounds and their use in the treatment of bacterial infections | 豪夫迈·罗氏有限公司 | 2022-11-04 | — | — | CN | disclosed |