Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 6/20 | 0.43 |
| ▸ | DRD3 | P35462 | 6/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | S100A4 | P26447 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 6/20 | 0.42 |
| ▸ | HTR1A | P08908 | 5/20 | 0.42 |
| ▸ | HTR7 | P34969 | 5/20 | 0.42 |
| ▸ | HTR2B | P41595 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 5/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.41 |
| ▸ | DRD4 | P21917 | 4/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 6/20 | 0.37 |
| ▸ | SRD5A1 | P18405 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7590593 | 0.79 | METAP1 (0.54) | DRD2DRD3S100A4HTR2AHTR1A | |
| SCHEMBL8696988 | 0.78 | ACHE (0.46) | ACHEDRD2DRD3DRD1HTR2A | |
| SCHEMBL14939019 | 0.78 | METAP1 (0.54) | ACHES100A4HTR2AHTR2BHTR2C | |
| SCHEMBL569403 | 0.78 | ACHE (0.74) | ACHEDRD2DRD3DRD1HTR2A | |
| SCHEMBL1238953 | 0.78 | ACHE (0.46) | ACHEDRD2DRD3DRD1HTR2A | |
| SCHEMBL30666881 | 0.78 | ACHE (0.46) | ACHEDRD2DRD3DRD1HTR2A | |
| SCHEMBL7836162 | 0.75 | NOS3 (0.49) | ACHEDRD2DRD3DRD1HTR2A | |
| SCHEMBL20358707 | 0.75 | DRD3 (0.56) | ACHEDRD2DRD3DRD1HTR2A | |
| SCHEMBL7596678 | 0.74 | METAP1 (0.49) | ACHEDRD2DRD3S100A4HTR2A | |
| SCHEMBL31189156 | 0.74 | METAP1 (0.58) | ACHEDRD2DRD3HTR2AHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| CN-107835800-A | cyclic compound | 武田药品工业株式会社 | 2018-03-23 | — | — | CN | disclosed |