Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | LIPE | Q05469 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 2/20 | 0.31 |
| ▸ | PPARA | Q07869 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15069672 | 0.87 | HSPB1 (0.39) | EGFRALDH1A1PTGS2 | |
| SCHEMBL29533045 | 0.87 | HSPB1 (0.39) | EGFRALDH1A1PTGS2 | |
| SCHEMBL20155072 | 0.85 | MEN1 (0.40) | SLC6A2SLC6A3EGFRALDH1A1 | |
| SCHEMBL20155354 | 0.83 | MAPT (0.44) | SLC6A4KCNH2EGFRALDH1A1HPGD | |
| SCHEMBL20155416 | 0.82 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3EGFRALDH1A1 | |
| SCHEMBL20155393 | 0.82 | KDM4E (0.42) | EGFRALDH1A1HPGDSCN9A | |
| SCHEMBL21904908 | 0.81 | HTR2A (0.41) | SLC6A4KCNH2EGFRALDH1A1POLB | |
| SCHEMBL21904778 | 0.80 | JAK2 (0.34) | SLC6A2EGFRPOLB | |
| SCHEMBL20160238 | 0.79 | SLC6A4 (0.38) | SLC6A2SLC6A4SLC6A3EGFRPTGS2 | |
| SCHEMBL21904898 | 0.78 | LPL (0.41) | SLC6A4KCNH2EGFRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |
| US-9249355-B2 | Liquid-crystal displays having homeotropic alignment | MERCK PATENT GMBH (DE) | 2016-02-02 | — | — | US | disclosed |