Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 1/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | CTSD | P07339 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | PGA5 | P0DJD9 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | CTSE | P14091 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.47 |
| ▸ | CCKAR | P32238 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7398895 | 0.89 | MLNR (0.61) | MLNRNR1I2ABCB11PGRCTSD | |
| SCHEMBL7402566 | 0.88 | MLNR (0.58) | MLNRNR1I2ABCB11PGRCTSD | |
| SCHEMBL7409591 | 0.88 | MLNR (0.58) | MLNRNR1I2ABCB11PGRCTSD | |
| SCHEMBL7402564 | 0.88 | MLNR (0.58) | MLNRNR1I2ABCB11PGRCTSD | |
| SCHEMBL6952988 | 0.85 | ADRA1A (0.43) | MLNRNR1I2ABCB11PGRCTSD | |
| SCHEMBL6953724 | 0.85 | ADRA1A (0.43) | MLNRNR1I2ABCB11PGRCTSD | |
| SCHEMBL6953577 | 0.85 | ADRA1A (0.43) | MLNRNR1I2ABCB11PGRCTSD | |
| SCHEMBL6951760 | 0.85 | ADRA1A (0.43) | MLNRNR1I2ABCB11PGRCTSD | |
| SCHEMBL7082037 | 0.85 | ADRA1A (0.43) | MLNRNR1I2ABCB11PGRCTSD | |
| SCHEMBL7399696 | 0.84 | MLNR (0.67) | MLNRNR1I2ABCB11PGRCTSD |
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-1995030670-A2 | PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-16 | — | — | WO | disclosed |