Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.37 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.37 |
| ▸ | GRIK2 | Q13002 | 3/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL28688047 | 0.97 | ALDH1A1 (0.49) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL28453064 | 0.93 | ALDH1A1 (0.45) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL28666825 | 0.90 | ALDH1A1 (0.43) | ALDH1A1GRIK1GRIK2SLC1A2SLC1A1 | |
| SCHEMBL28675100 | 0.87 | ALDH1A1 (0.41) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL9132316 | 0.82 | GPR84 (0.52) | GRIK1GRIK2GPR84FFAR1MAPT | |
| SCHEMBL5830000 | 0.82 | CA2 (0.47) | SLC1A2SLC1A1SLC1A3CHRM1AKR1A1 | |
| SCHEMBL15463418 | 0.81 | GRIK1 (0.47) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL5678264 | 0.79 | GSR (0.48) | ALDH1A1SLC6A3 | |
| SCHEMBL17335976 | 0.77 | CPB2 (0.47) | ALDH1A1SLC6A3 | |
| SCHEMBL17335986 | 0.77 | CPB2 (0.47) | ALDH1A1SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106573015-B | Enteric elastomer | 麻省理工学院 | 2021-11-26 | — | — | CN | disclosed |
| CN-106714893-B | Self-assembled residence device and related method | 麻省理工学院 | 2021-01-01 | — | — | CN | disclosed |