Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 11/20 | 0.37 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | GBA1 | P04062 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL19181531 | 1.00 | DRD4 (0.37) | DRD4FUCA1DRD2DRD3GBA1 | |
| SCHEMBL19181580 | 0.86 | GBA1 (0.41) | DRD4FUCA1DRD2DRD3GBA1 | |
| SCHEMBL17065410 | 0.78 | DRD4 (0.37) | DRD4FUCA1DRD2DRD3 | |
| SCHEMBL17065395 | 0.78 | DRD4 (0.36) | DRD4FUCA1DRD2DRD3 | |
| SCHEMBL17065325 | 0.78 | DRD4 (0.36) | DRD4FUCA1DRD2DRD3 | |
| SCHEMBL51914 | 0.73 | GBA1 (0.40) | FUCA1GBA1 | |
| SCHEMBL63254 | 0.73 | GBA1 (0.40) | FUCA1GBA1 | |
| SCHEMBL4759089 | 0.72 | RORC (0.45) | FUCA1GBA1 | |
| SCHEMBL17065374 | 0.71 | DRD4 (0.45) | DRD4 | |
| SCHEMBL26131045 | 0.71 | GBA1 (0.47) | DRD4FUCA1DRD2DRD3GBA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3113780-A1 | HIV PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-01-11 | — | — | EP | disclosed |
| WO-2015134366-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-09-11 | — | — | WO | disclosed |