Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CETP | P11597 | 3/20 | 0.40 |
| ▸ | ALPG | P10696 | 1/20 | 0.40 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8732784 | 0.88 | POLB (0.47) | CYP2C19CYP2C9TSHRTDP1L3MBTL1 | |
| SCHEMBL8729694 | 0.85 | MAOB (0.42) | CYP2C19CYP2C9TDP1L3MBTL1SLC6A2 | |
| SCHEMBL8729697 | 0.85 | MAOB (0.42) | CYP2C19CYP2C9TDP1L3MBTL1SLC6A2 | |
| SCHEMBL8729688 | 0.85 | MAOB (0.42) | CYP2C19CYP2C9TDP1L3MBTL1SLC6A2 | |
| SCHEMBL8727266 | 0.82 | TSHR (0.49) | TSHRCETPALPGPTK2BPOLB | |
| SCHEMBL8733377 | 0.80 | TSHR (0.52) | TSHRCETPALPGPTK2BTDP1 | |
| SCHEMBL8727138 | 0.78 | NPC1 (0.44) | L3MBTL1 | |
| SCHEMBL8758717 | 0.77 | CYP2C9 (0.54) | CYP2C19CYP2C9TSHRPOLB | |
| SCHEMBL9056789 | 0.75 | CYP2C9 (0.64) | CYP2C19CYP2C9CETPSLC6A2SLC6A3 | |
| SCHEMBL4068237 | 0.74 | CETP (0.53) | TSHRCETPTDP1L3MBTL1 |
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 |