Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 11/20 | 0.50 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25716981 | 0.86 | DRD2 (0.54) | DRD2CACNA1HSIGMAR1TDP1CD274 | |
| SCHEMBL31301242 | 0.84 | DRD2 (0.63) | DRD2CACNA1HSIGMAR1TDP1CD274 | |
| SCHEMBL14165710 | 0.84 | DRD2 (0.50) | DRD2CACNA1HSIGMAR1TDP1CD274 | |
| SCHEMBL16208607 | 0.84 | DRD2 (0.50) | DRD2CACNA1HSIGMAR1TDP1CD274 | |
| SCHEMBL14075951 | 0.84 | DRD2 (0.50) | DRD2CACNA1HSIGMAR1TDP1CD274 | |
| SCHEMBL21754610 | 0.83 | DRD2 (0.52) | DRD2CACNA1HSIGMAR1TDP1CD274 | |
| SCHEMBL22252842 | 0.83 | DRD2 (0.49) | DRD2CACNA1HSIGMAR1TDP1CD274 | |
| SCHEMBL30380723 | 0.81 | DRD2 (0.54) | DRD2CACNA1HSIGMAR1TDP1CD274 | |
| SCHEMBL13075277 | 0.80 | DRD2 (0.56) | DRD2CACNA1HSIGMAR1TDP1CD274 | |
| SCHEMBL20411791 | 0.80 | DRD2 (0.47) | DRD2CACNA1HSIGMAR1TDP1CD274 |
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-2018134786-A1 | COMPOSITIONS AND METHODS FOR THE ASSESSMENT OF DRUG TARGET OCCUPANCY FOR BRUTON'S TYROSINE KINASE | ACERTA PHARMA B.V. (NL) | 2018-07-26 | — | — | WO | disclosed |