Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | CETP | P11597 | 6/20 | 0.59 |
| ▸ | LTA4H | P09960 | 2/20 | 0.46 |
| ▸ | MLNR | O43193 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Phosphoric Acid SCHEMBL887619 | 0.80 | LTA4H (0.66) | LTA4HMLNRNR1I2ESR1NR3C1 | |
| Phosphoric Acid SCHEMBL2836396 | 0.80 | LTA4H (0.66) | LTA4HMLNRNR1I2ESR1NR3C1 | |
| Phosphoric Acid SCHEMBL206907 | 0.80 | LTA4H (0.66) | LTA4HMLNRNR1I2ESR1NR3C1 | |
| Phosphoric Acid SCHEMBL25417010 | 0.79 | LTA4H (0.64) | LTA4HMLNRNR1I2ESR1NR3C1 | |
| Phosphoric Acid SCHEMBL28734640 | 0.79 | LTA4H (0.64) | LTA4HMLNRNR1I2ESR1NR3C1 | |
| Phosphoric Acid SCHEMBL6834893 | 0.79 | LTA4H (0.64) | LTA4HMLNRNR1I2ESR1NR3C1 | |
| SCHEMBL8729121 | 0.78 | S1PR1 (0.50) | CETPSLC6A4 | |
| SCHEMBL8758199 | 0.78 | S1PR1 (0.50) | CETPSLC6A4 | |
| Phosphoric Acid SCHEMBL30428 | 0.78 | LTA4H (0.68) | LTA4HFDPSFAAH | |
| Phosphoric Acid SCHEMBL28004820 | 0.78 | LTA4H (0.62) | LTA4HMLNRNR1I2ESR1NR3C1 |
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-1996004234-A1 | ARYLOXY ANDARYCTHIO PROPANOLAMINE DERIVATIVES USEFUL AS B3-ADRENORECEPTOR AGONISTS AND ANTAGONS OF THE B1 AND B2 ADRENORECEPTORS AND PHARMACEUTICAL COMPOSITION THEREOF | SMITHKLINE BEECHAM PLC (GB) | 1996-02-15 | — | — | WO | disclosed |