Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 6/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2435434 | 1.00 | MCL1 (0.39) | MCL1HDAC1HDAC6CHEK2MAPT | |
| SCHEMBL6208891 | 1.00 | MCL1 (0.39) | MCL1HDAC1HDAC6CHEK2MAPT | |
| SCHEMBL2433139 | 0.91 | MAPT (0.46) | MCL1HDAC1HDAC6MAPTRAB9A | |
| SCHEMBL2433143 | 0.91 | MAPT (0.46) | MCL1HDAC1HDAC6MAPTRAB9A | |
| SCHEMBL5156899 | 0.90 | GABRA5 (0.39) | MCL1HDAC1BACE1BDKRB2 | |
| SCHEMBL5151613 | 0.86 | MAPT (0.42) | HDAC1HDAC6CHEK2MAPTRAB9A | |
| SCHEMBL6966611 | 0.86 | MAPT (0.42) | HDAC1HDAC6CHEK2MAPTRAB9A | |
| SCHEMBL14592059 | 0.84 | MAPT (0.43) | MAPTRAB9AMAPK1SMN1; SMN2 | |
| SCHEMBL5150176 | 0.83 | MAPK1 (0.40) | HDAC1HDAC6CHEK2MAPTRAB9A | |
| SCHEMBL2431924 | 0.83 | MEN1 (0.44) | MCL1BDKRB2NR1H2 |
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-7179819-B2 | VLA-4 inhibitor compounds | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-02-20 | — | — | US | disclosed |