Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
| ▸ | GPR3 | P46089 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL18958671 | 0.76 | ACHE (0.39) | ACHEKDM4ELDHAHDAC3HDAC1 | |
| SCHEMBL25882935 | 0.76 | ACHE (0.39) | ACHEKDM4ELDHAHDAC3HDAC1 | |
| SCHEMBL16011813 | 0.76 | HDAC1 (0.43) | ACHEKDM4ELDHAHDAC3HDAC1 | |
| SCHEMBL280139 | 0.76 | GPR3 (0.58) | KDM4EHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL1079159 | 0.76 | FEN1 (0.45) | ACHEKDM4ELDHAHDAC3HDAC1 | |
| SCHEMBL257570 | 0.76 | ACHE (0.39) | ACHEKDM4ELDHAHDAC3HDAC1 | |
| SCHEMBL16640334 | 0.76 | MAPT (0.54) | ACHEHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL7647965 | 0.75 | GPR3 (0.52) | KDM4EGPR3MAPTL3MBTL1CYP2C19 | |
| SCHEMBL18381782 | 0.74 | GPR3 (0.56) | KDM4EHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL25635143 | 0.74 | ACHE (0.44) | ACHEKDM4ELDHAHDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5532261-A | TREATING STAPHYLOCOCCUS INFECTIONS | MERCK & CO., INC. (US) | 1996-07-02 | — | — | US | disclosed |