Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 5/20 | 0.38 |
| ▸ | HTR7 | P34969 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 4/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | HTR1F | P30939 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | SCD | O00767 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 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 | |
|---|---|---|---|---|
| SCHEMBL23175432 | 0.88 | DRD2 (0.42) | DRD2SLC6A4HTR2AHTR7KCNH2 | |
| SCHEMBL23175681 | 0.83 | CYP17A1 (0.38) | DRD2SLC6A4HTR2AHTR7HTR3A | |
| SCHEMBL23175518 | 0.75 | HTR2A (0.51) | DRD2SLC6A4HTR2AHTR7HTR3A | |
| SCHEMBL23175351 | 0.75 | HTR2A (0.50) | DRD2SLC6A4HTR2AHTR7HTR3A | |
| SCHEMBL23595431 | 0.73 | HTR2A (0.48) | DRD2SLC6A4HTR2AHTR7KCNH2 | |
| Hydrochloric Acid SCHEMBL23581595 | 0.72 | HTR2A (0.47) | DRD2SLC6A4HTR2AHTR7KCNH2 | |
| SCHEMBL22304358 | 0.72 | CYP17A1 (0.38) | DRD2HTR2AKCNH2CYP17A1ACHE | |
| SCHEMBL85017 | 0.70 | DRD2 (0.48) | DRD2SLC6A4HTR2AHTR7KCNH2 | |
| SCHEMBL21633552 | 0.70 | HTR2A (0.61) | DRD2SLC6A4HTR2AHTR7KCNH2 | |
| SCHEMBL22304321 | 0.69 | ACHE (0.30) | ACHE |
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-2021057890-A1 | 2H-BENZOPYRAN DERIVATIVES AS CRAC INHIBITORS | 南京明德新药研发有限公司 | 2021-04-01 | — | — | WO | disclosed |