Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9281842 | 1.00 | HDAC4 (0.38) | HDAC4KDM4EALDH1A1ALOX12NPSR1 | |
| SCHEMBL9103958 | 0.93 | OPRD1 (0.37) | OPRD1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9103967 | 0.93 | OPRD1 (0.37) | OPRD1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9099355 | 0.84 | HDAC4 (0.37) | HDAC4ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9099364 | 0.84 | HDAC4 (0.37) | HDAC4ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9101647 | 0.83 | ALDH1A1 (0.43) | KDM4EALDH1A1ALOX12NPSR1L3MBTL1 | |
| SCHEMBL9101652 | 0.83 | ALDH1A1 (0.43) | KDM4EALDH1A1ALOX12NPSR1L3MBTL1 | |
| SCHEMBL9108282 | 0.83 | POLB (0.44) | KDM4EALDH1A1ALOX12NPSR1L3MBTL1 | |
| SCHEMBL9100128 | 0.83 | POLB (0.44) | KDM4EALDH1A1ALOX12NPSR1L3MBTL1 | |
| SCHEMBL9281370 | 0.83 | ALDH1A1 (0.43) | KDM4EALDH1A1ALOX12NPSR1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012074469-A1 | NEW IKACH BLOCKERS | ASTRAZENECA AB (SE) | 2012-06-07 | — | — | WO | disclosed |