Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.47 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CHKA | P35790 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29827516 | 0.83 | ALDH1A1 (0.51) | KCNH2HRH3DAOALDH1A1NPC1 | |
| SCHEMBL6115157 | 0.83 | ALDH1A1 (0.51) | KCNH2HRH3DAOALDH1A1NPC1 | |
| SCHEMBL23330226 | 0.82 | ALDH1A1 (0.46) | KCNH2HRH3DAOALDH1A1NPC1 | |
| SCHEMBL4195374 | 0.81 | ALDH1A1 (0.50) | KCNH2HRH3DAOALDH1A1NPC1 | |
| SCHEMBL113636 | 0.81 | ALDH1A1 (0.53) | KCNH2HRH3DAOALDH1A1NPC1 | |
| SCHEMBL29873370 | 0.81 | ALDH1A1 (0.53) | KCNH2HRH3DAOALDH1A1NPC1 | |
| SCHEMBL4020874 | 0.81 | DAO (0.56) | KCNH2HRH3DAOALDH1A1NPC1 | |
| SCHEMBL6115531 | 0.80 | KCNH2 (0.49) | KCNH2HRH3DAOALDH1A1NPC1 | |
| SCHEMBL6114909 | 0.80 | KCNH2 (0.49) | KCNH2HRH3DAOALDH1A1NPC1 | |
| SCHEMBL6115280 | 0.80 | KCNH2 (0.49) | KCNH2HRH3DAOALDH1A1NPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180154332-A1 | HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING ION PAIRED-BONDED PHASES FOR SUPERCRITICAL FLUID CHROMATOGRAPHY | WATERS TECHNOLOGIES CORPORATION | 2018-06-07 | — | — | US | disclosed |
| US-6884477-B1 | Electroluminescence device using liquid crystal compound | CANON KABUSHIKI KAISHA (JP) | 2005-04-26 | — | — | US | disclosed |