Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL25841553 | 0.90 | RELA (0.50) | RELAALDH1A1HPGDPPARACA2 | |
| SCHEMBL27256366 | 0.86 | CA2 (0.37) | RELAALDH1A1HPGDCA2MEN1 | |
| SCHEMBL5710485 | 0.83 | RELA (0.44) | RELAALDH1A1HPGDPPARACA2 | |
| SCHEMBL8592245 | 0.81 | CA2 (0.40) | ALDH1A1HPGDCA2MEN1HTT | |
| SCHEMBL7685651 | 0.77 | RELA (0.71) | RELAPPARACA2CA12CA7 | |
| SCHEMBL8468160 | 0.77 | RELA (0.71) | RELAPPARACA2CA12CA7 | |
| SCHEMBL7687766 | 0.77 | RELA (0.66) | RELAPPARACA2CA12CA7 | |
| SCHEMBL7694320 | 0.77 | RELA (0.71) | RELAPPARACA2CA12CA7 | |
| SCHEMBL14081786 | 0.77 | RELA (0.61) | RELAPPARACA2CA12CA7 | |
| SCHEMBL7109056 | 0.77 | RELA (0.71) | RELAPPARACA2CA12CA7 |
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-2318369-A1 | SQUARIC ACID DERIVATIVES AS INHIBITORS OF THE NICOTINAMIDE | TopoTarget A/S (DK) | 2011-05-11 | — | — | EP | disclosed |