Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 4/20 | 0.35 |
| ▸ | HTR1F | P30939 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 4/20 | 0.34 |
| ▸ | DRD3 | P35462 | 3/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23175352 | 0.83 | DRD2 (0.39) | CYP17A1ACHEDRD2SLC6A4HTR3A | |
| SCHEMBL30476244 | 0.75 | SCD (0.39) | ACHEDRD2SLC6A4HTR1F | |
| SCHEMBL23175351 | 0.75 | HTR2A (0.50) | ACHEDRD2SLC6A4HTR3AHTR2A | |
| SCHEMBL23175432 | 0.74 | DRD2 (0.42) | ACHEDRD2SLC6A4HTR2AHTR7 | |
| SCHEMBL5509193 | 0.74 | ESR1 (0.37) | AHR | |
| SCHEMBL23175518 | 0.68 | HTR2A (0.51) | ACHEDRD2SLC6A4HTR3AHTR2A | |
| SCHEMBL5505902 | 0.67 | ESR1 (0.37) | AHR | |
| SCHEMBL8559886 | 0.67 | HTR2A (0.47) | ACHEDRD2SLC6A4HTR2ADRD3 | |
| SCHEMBL17272910 | 0.66 | RET (0.31) | HTR2AHTR7 | |
| SCHEMBL20134950 | 0.66 | HTR3A (0.41) | HTR3AHTR1FHTR2ADRD3 |
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 |