Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.56 |
| ▸ | CES1 | P23141 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | CTSD | P07339 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.45 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.45 |
| ▸ | ITGAL | P20701 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Pyrrole SCHEMBL28400113 | 0.91 | CES2 (0.47) | CES2CES1ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL25363190 | 0.91 | CES2 (0.50) | CES2CES1ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL1127907 | 0.90 | CES2 (0.56) | CES2CES1ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL30047069 | 0.89 | CES2 (0.48) | CES2CES1ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL5723592 | 0.89 | CES2 (0.47) | CES2CES1ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL993341 | 0.87 | CTSD (0.52) | ALDH1A1MAPTL3MBTL1MEN1KMT2A | |
| SCHEMBL2646708 | 0.84 | CES2 (0.61) | CES2CES1ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL994062 | 0.83 | GAA (0.64) | CES2CES1ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL1638645 | 0.82 | CES2 (0.48) | CES2CES1ALDH1A1MAPTL3MBTL1 | |
| Water SCHEMBL30746017 | 0.82 | GAA (0.62) | CES2CES1ALDH1A1MAPTL3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111187214-B | Fluorobenzene bishydrazide azole compound and application thereof | 青岛科技大学 | 2022-09-16 | — | — | CN | claimed |
| CN-111187214-B | Fluorobenzene bishydrazide azole compound and application thereof | 青岛科技大学 | 2022-09-16 | — | — | CN | disclosed |
| CN-111187214-B | Fluorobenzene bishydrazide azole compound and application thereof | 青岛科技大学 | 2022-09-16 | — | — | CN | disclosed |
| CN-111187214-B | Fluorobenzene bishydrazide azole compound and application thereof | 青岛科技大学 | 2022-09-16 | — | — | CN | disclosed |