Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | FDPS | P14324 | 7/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21995511 | 0.70 | TSHR (0.37) | CYP2C19SMN1; SMN2TSHR | |
| SCHEMBL9577039 | 0.69 | KCNA3 (0.43) | RAB9ATSHR | |
| SCHEMBL21995296 | 0.69 | TSHR (0.33) | CYP2C19TSHR | |
| SCHEMBL8584975 | 0.68 | RAB9A (0.40) | CYP2C9CYP2C19RAB9APKMSMN1; SMN2 | |
| SCHEMBL9158885 | 0.68 | LTA4H (0.40) | RAB9AMEN1KMT2ATSHR | |
| Phenetole SCHEMBL27862125 | 0.68 | LTA4H (0.59) | CYP2C9CYP2C19RAB9APKMSMN1; SMN2 | |
| SCHEMBL778182 | 0.67 | TSHR (0.31) | CYP2C19SMN1; SMN2TSHR | |
| Phenetole SCHEMBL28048881 | 0.67 | LTA4H (0.63) | CYP2C9CYP2C19RAB9APKMSMN1; SMN2 | |
| SCHEMBL18893736 | 0.65 | CETP (0.33) | CYP2C19FDPSTSHR | |
| SCHEMBL4588666 | 0.64 | KCNA3 (0.41) | RAB9A |
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 |