Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | TYMS | P04818 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | PRKDC | P78527 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 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 | |
|---|---|---|---|---|
| SCHEMBL14620419 | 0.94 | NR1H2 (0.35) | COMTNR1H2NR1H3PTGS2BRD4 | |
| SCHEMBL14620043 | 0.89 | NR1H2 (0.42) | NR1H2NR1H3PTGS2BRD4MAPT | |
| SCHEMBL14620062 | 0.79 | COMT (0.40) | COMTNR1H2NR1H3PTGS2BRD4 | |
| SCHEMBL14620261 | 0.76 | PSMB8 (0.38) | COMTPTGS2BRD4PGRGAA | |
| SCHEMBL14275471 | 0.75 | PTGS2 (0.44) | NR1H2NR1H3PTGS2BRD4MAPT | |
| SCHEMBL14479768 | 0.71 | NR1H2 (0.37) | COMTNR1H2NR1H3PTGS2BRD4 | |
| SCHEMBL14051706 | 0.71 | PTGS2 (0.40) | NR1H2NR1H3PTGS2BRD4ALDH1A1 | |
| SCHEMBL5109381 | 0.70 | MAPK1 (0.39) | NR1H2NR1H3PTGS2GAAALDH1A1 | |
| SCHEMBL14620069 | 0.69 | NR1H2 (0.45) | NR1H2NR1H3PTGS2BRD4MAPT | |
| SCHEMBL14051816 | 0.68 | PTGS2 (0.37) | NR1H2NR1H3PTGS2ALDH1A1HTT |
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-2007003520-A1 | FLUORESCENT DIKETOPYRROLOPYRROLES AND DERIVATIVES | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2007-01-11 | — | — | WO | disclosed |