Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 9/20 | 0.40 |
| ▸ | HTR6 | P50406 | 8/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | PRKACG | P22612 | 1/20 | 0.38 |
| ▸ | PRKACB | P22694 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HRH2 | P25021 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29977373 | 0.88 | TLR7 (0.52) | HTTPDE4ALMNAPOLBHRH2 | |
| SCHEMBL9601993 | 0.84 | CYP11B1 (0.50) | HTTMAPK1SMN1; SMN2PDE4ACYP11B1 | |
| SCHEMBL24733009 | 0.81 | MAOB (0.48) | MAOBHTR6MAPK1SMN1; SMN2MAPT | |
| SCHEMBL29808930 | 0.81 | MAOB (0.48) | MAOBHTR6MAPK1SMN1; SMN2MAPT | |
| SCHEMBL8114967 | 0.80 | KDM4E (0.47) | HTTMAPK1SMN1; SMN2PDE4ACYP11B1 | |
| SCHEMBL29977341 | 0.78 | MC4R (0.47) | MAOBHTR6MAPTLMNAPOLB | |
| SCHEMBL29809072 | 0.76 | L3MBTL1 (0.46) | HTTMAOBHTR6MAPK1SMN1; SMN2 | |
| SCHEMBL29808989 | 0.76 | HTT (0.43) | HTTMAOBHTR6SMN1; SMN2PDE4A | |
| SCHEMBL24732796 | 0.76 | HTT (0.43) | HTTMAOBHTR6SMN1; SMN2PDE4A | |
| SCHEMBL28802666 | 0.75 | TNF (0.41) | PDE4ACYP11B1CYP11B2LMNAPOLB |
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-2022161420-A1 | CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翊石医药科技有限公司 | 2022-08-04 | — | — | WO | disclosed |