Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 13/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.45 |
| ▸ | BRAF | P15056 | 1/20 | 0.43 |
| ▸ | ESRRG | P62508 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8761425 | 0.81 | TRIM24 (0.57) | CHRNB2CHRNA4ESR1ESR2LTA4H | |
| SCHEMBL8209160 | 0.78 | ESR1 (0.54) | CHRNB2CHRNA4ESR1ESR2ESRRG | |
| SCHEMBL9077109 | 0.77 | ESR1 (0.49) | CHRNB2CHRNA4ESR1ESR2ESRRG | |
| Hydrochloric Acid SCHEMBL10699072 | 0.76 | HRH3 (0.43) | CHRNB2CHRNA4ESR1KDRESR2 | |
| SCHEMBL8761047 | 0.75 | ERN1 (0.57) | CHRNB2CHRNA4ACHELTA4H | |
| SCHEMBL2477011 | 0.75 | ESR1 (0.65) | CHRNB2CHRNA4ESR1ESR2ESRRG | |
| SCHEMBL1958163 | 0.74 | HRH3 (0.48) | CHRNB2CHRNA4ESR1ESR2ACHE | |
| SCHEMBL15067763 | 0.74 | HTR2A (0.37) | ESR2 | |
| SCHEMBL19153570 | 0.73 | PELI1 (0.47) | ESR1ESR2ACHE | |
| SCHEMBL1647021 | 0.72 | KDM4E (0.53) | CHRNB2CHRNA4ACHELTA4H |
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-2008030771-A1 | CYCLIC ALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-03-13 | — | — | WO | disclosed |