Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK2 | P49137 | 6/20 | 0.55 |
| ▸ | MAPT | P10636 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | HTR2B | P41595 | 1/20 | 0.54 |
| ▸ | MAPKAPK5 | Q8IW41 | 1/20 | 0.49 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 4/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8041821 | 0.81 | MAPKAPK2 (0.50) | MAPKAPK2MAPTALDH1A1HTR2BMAPKAPK5 | |
| SCHEMBL8039623 | 0.81 | SIRT1 (0.56) | MAPKAPK2MAPTALDH1A1HTR2BMAPKAPK5 | |
| SCHEMBL7507230 | 0.81 | TP53 (0.52) | MAPKAPK2MAPTALDH1A1HTR2BMAPKAPK5 | |
| SCHEMBL7501949 | 0.81 | SIGMAR1 (0.55) | MAPKAPK2MAPTALDH1A1HTR2BMAPKAPK5 | |
| SCHEMBL7506122 | 0.79 | MAPKAPK2 (0.48) | MAPKAPK2MAPTALDH1A1HTR2BMAPKAPK5 | |
| SCHEMBL7506585 | 0.79 | MAPKAPK2 (0.53) | MAPKAPK2MAPTALDH1A1HTR2BMAPKAPK5 | |
| SCHEMBL8041738 | 0.79 | MAPKAPK2 (0.54) | MAPKAPK2MAPTALDH1A1HTR2BMAPKAPK5 | |
| SCHEMBL6353101 | 0.78 | TP53 (0.57) | MAPKAPK2MAPTALDH1A1HTR2BMAPKAPK5 | |
| SCHEMBL7504077 | 0.78 | MAPKAPK2 (0.49) | MAPKAPK2MAPTALDH1A1HTR2BMAPKAPK5 | |
| SCHEMBL7504696 | 0.78 | MAPKAPK2 (0.49) | MAPKAPK2MAPTALDH1A1HTR2BMAPKAPK5 |
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-2005009370-A2 | BETA-CARBOLINE COMPOUNDS AND ANALOGUES THEREOF AND THEIR USE AS MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS | PHARMACIA CORPORATION (US) | 2005-02-03 | — | — | WO | disclosed |