Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 8/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.39 |
| ▸ | MAOB | P27338 | 4/20 | 0.38 |
| ▸ | MAOA | P21397 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30365884 | 1.00 | KCNJ1 (0.44) | KCNJ1KCNH2MAOBMAOALMNA | |
| SCHEMBL854575 | 0.81 | KCNJ1 (0.46) | KCNJ1KCNH2MAOBMAOALMNA | |
| SCHEMBL855513 | 0.81 | KCNJ1 (0.46) | KCNJ1KCNH2MAOBMAOALMNA | |
| SCHEMBL861759 | 0.78 | MAOA (0.38) | KCNJ1MAOBMAOALMNAGAA | |
| SCHEMBL20231933 | 0.78 | KCNJ1 (0.60) | KCNJ1KCNH2LMNAACHESSTR1 | |
| SCHEMBL2733555 | 0.78 | KCNJ1 (0.44) | KCNJ1KCNH2MAOBMAOALMNA | |
| SCHEMBL286755 | 0.78 | KCNJ1 (0.44) | KCNJ1KCNH2MAOBMAOALMNA | |
| SCHEMBL855948 | 0.78 | KCNJ1 (0.44) | KCNJ1KCNH2MAOBMAOALMNA | |
| SCHEMBL22718951 | 0.75 | KCNJ1 (0.66) | KCNJ1KCNH2MAOBMAOALMNA | |
| SCHEMBL22718931 | 0.75 | KCNJ1 (0.46) | KCNJ1KCNH2MAOBMAOALMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023061294-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 再鼎医药(上海)有限公司 | 2023-04-20 | — | — | WO | disclosed |
| US-8604221-B2 | Production method of halogen-substituted phthalide | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-12-10 | — | — | US | disclosed |
| US-20120142946-A1 | PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-06-07 | — | — | US | disclosed |
| EP-2433933-A1 | PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE | Sumitomo Chemical Company, Limited (JP) | 2012-03-28 | — | — | EP | disclosed |