Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK1 | P23458 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14256459 | 0.80 | GRIN2B (0.51) | JAK1ALDH1A1L3MBTL1MEN1RAB9A | |
| SCHEMBL25007083 | 0.80 | JAK1 (0.41) | JAK1ALDH1A1KDM4EL3MBTL1HTT | |
| SCHEMBL16286917 | 0.80 | MEN1 (0.53) | HRH3MEN1RAB9AKMT2APOLB | |
| Ammonia Solution, Strong SCHEMBL16269263 | 0.79 | GRIN2B (0.50) | JAK1ALDH1A1L3MBTL1MEN1RAB9A | |
| Hydrochloric Acid SCHEMBL25289610 | 0.78 | MEN1 (0.56) | ALDH1A1KDM4EHRH3HTTMEN1 | |
| SCHEMBL16366457 | 0.77 | JAK1 (0.47) | JAK1ALDH1A1KDM4EL3MBTL1GAA | |
| SCHEMBL11817362 | 0.76 | JAK1 (0.45) | JAK1ALDH1A1KDM4EL3MBTL1RAB9A | |
| SCHEMBL31630108 | 0.71 | BCHE (0.51) | JAK1ALDH1A1HRH3MEN1RAB9A | |
| SCHEMBL16286711 | 0.71 | EGLN2 (0.44) | HRH3MEN1RAB9AKMT2APOLB | |
| SCHEMBL16286710 | 0.71 | EGLN2 (0.44) | HRH3MEN1RAB9AKMT2APOLB |
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-117751113-A | Aromatic acetylene derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2024-03-22 | — | — | CN | disclosed |
| WO-2023011573-A1 | AROMATIC ACETYLENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF | 浙江海正药业股份有限公司 | 2023-02-09 | — | — | WO | disclosed |