Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 2/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.59 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.59 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.56 |
| ▸ | NAAA | Q02083 | 1/20 | 0.55 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | ATM | Q13315 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | NPY1R | P25929 | 1/20 | 0.52 |
| ▸ | NPY2R | P49146 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL3547707 | 1.00 | HPGDS (0.61) | HPGDSHPGDCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3436271 | 0.90 | HPGD (0.66) | HPGDSHPGDCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL12789158 | 0.84 | HPGD (0.69) | HPGDSHPGDCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7364347 | 0.84 | HDAC1 (0.58) | HPGDSHPGDCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL27965799 | 0.82 | HDAC1 (0.65) | HPGDSHPGDCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL27965984 | 0.82 | RAB9A (0.66) | HPGDSHPGDCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL27965978 | 0.82 | RAB9A (0.61) | HPGDSHPGDCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2101661 | 0.82 | HDAC3 (0.51) | HPGDSHPGDHDAC1HDAC6HDAC8 | |
| SCHEMBL27966332 | 0.82 | HPGD (0.66) | HPGDSHPGDCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL27966030 | 0.81 | HPGDS (0.49) | HPGDSHPGDCYP1A2CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2970334-B1 | MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES | BIOGEN MA INC (US) | 2018-05-23 | — | — | EP | disclosed |