Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.56 |
| ▸ | DRD2 | P14416 | 6/20 | 0.56 |
| ▸ | DRD4 | P21917 | 6/20 | 0.56 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.53 |
| ▸ | UTS2R | Q9UKP6 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7408973 | 1.00 | BACE1 (0.56) | BACE1DRD2DRD4MCHR1UTS2R | |
| SCHEMBL17152610 | 1.00 | BACE1 (0.56) | BACE1DRD2DRD4MCHR1UTS2R | |
| SCHEMBL4846164 | 0.93 | SIGMAR1 (0.60) | DRD2DRD4ALDH1A1SIGMAR1CYP2C19 | |
| SCHEMBL6207514 | 0.93 | SIGMAR1 (0.60) | DRD2DRD4ALDH1A1SIGMAR1CYP2C19 | |
| SCHEMBL4846139 | 0.93 | SIGMAR1 (0.60) | DRD2DRD4ALDH1A1SIGMAR1CYP2C19 | |
| SCHEMBL17152225 | 0.86 | SIGMAR1 (0.61) | DRD4ALDH1A1SIGMAR1CYP2C19SMN1; SMN2 | |
| SCHEMBL13396905 | 0.86 | BACE1 (0.63) | BACE1DRD2DRD4MCHR1ALDH1A1 | |
| SCHEMBL6594030 | 0.85 | UTS2R (0.57) | BACE1DRD2DRD4UTS2RSIGMAR1 | |
| SCHEMBL6594586 | 0.84 | UTS2R (0.65) | DRD2DRD4UTS2RSIGMAR1 | |
| SCHEMBL4802522 | 0.83 | DRD4 (0.57) | BACE1DRD2DRD4MCHR1SIGMAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0991753-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2001-07-11 | — | — | EP | disclosed |
| EP-0991753-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-04-12 | — | — | EP | disclosed |
| WO-1998050534-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-11-12 | — | — | WO | disclosed |