Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 3/20 | 0.34 |
| ▸ | MLNR | O43193 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | PGA5 | P0DJD9 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | CTSE | P14091 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.34 |
| ▸ | CCKAR | P32238 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7406895 | 0.90 | ALDH1A1 (0.40) | ALDH1A1BACE1GAAL3MBTL1TSHR | |
| SCHEMBL6702703 | 0.84 | MLNR (0.39) | ALDH1A1BACE1MLNRNR1I2ABCB11 | |
| SCHEMBL5795799 | 0.84 | MLNR (0.39) | ALDH1A1BACE1MLNRNR1I2ABCB11 | |
| SCHEMBL8340516 | 0.81 | ALDH1A1 (0.37) | ALDH1A1MLNRNR1I2ABCB11PGR | |
| SCHEMBL8014766 | 0.81 | ALDH1A1 (0.37) | ALDH1A1MLNRNR1I2ABCB11PGR | |
| SCHEMBL7406212 | 0.79 | DAO (0.35) | ALDH1A1PTGS2OPRD1DRD2SIGMAR1 | |
| SCHEMBL6172742 | 0.79 | GAA (0.37) | ALDH1A1BACE1GAAL3MBTL1DRD2 | |
| SCHEMBL8008763 | 0.77 | DRD2 (0.41) | CHRM2DRD1OPRD1HTR2BDRD2 | |
| SCHEMBL8008695 | 0.74 | CYP4F2 (0.49) | ALDH1A1GAAL3MBTL1 | |
| SCHEMBL6953138 | 0.74 | HPGD (0.35) | ALDH1A1MLNRNR1I2ABCB11PGR |
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 |
|---|---|---|---|---|---|---|---|
| US-6169181-B1 | HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITORS | PHARMACIA & UPJOHN COMPANY | 2001-01-02 | — | — | US | disclosed |
| US-5852195-A | Pyranone compounds useful to treat retroviral infections | PHARMACIA & UPJOHN COMPANY (US) | 1998-12-22 | — | — | US | disclosed |