Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | RECQL | P46063 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4061682 | 0.87 | CYP2D6 (0.53) | CYP2D6LPAR1ADRA2AADRA1AMEN1 | |
| SCHEMBL23479767 | 0.84 | ALDH1A1 (0.44) | HDAC4HDAC2HDAC8CYP2D6LPAR1 | |
| SCHEMBL3684203 | 0.83 | LPAR1 (0.48) | LPAR1MEN1KMT2ACYP3A4KDM4E | |
| SCHEMBL16109474 | 0.82 | HDAC4 (0.65) | HDAC4HDAC2HDAC8CYP2D6MEN1 | |
| SCHEMBL13232511 | 0.82 | APP (0.48) | CYP2D6LPAR1MEN1KMT2ABLM | |
| SCHEMBL23479650 | 0.82 | ALDH1A1 (0.44) | HDAC4HDAC2HDAC8LPAR1MEN1 | |
| SCHEMBL487152 | 0.80 | CYP2D6 (0.67) | CYP2D6LPAR1ADRA2AADRA1AMEN1 | |
| SCHEMBL196223 | 0.80 | CA12 (0.68) | HDAC4HDAC2HDAC8CYP2D6ADRA1A | |
| SCHEMBL28285996 | 0.78 | CYP2D6 (0.47) | HDAC4HDAC2HDAC8CYP2D6ADRA2A | |
| SCHEMBL8817717 | 0.77 | HDAC4 (0.59) | HDAC4HDAC2HDAC8CYP2D6MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105622525-B | The method for being used to prepare antiviral compound | 艾伯维巴哈马有限公司 | 2019-02-15 | — | — | CN | disclosed |