Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.43 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3467939 | 1.00 | ESR1 (0.47) | ESR1PGRCHRM2ADORA3AR | |
| SCHEMBL4252291 | 0.80 | ESR1 (0.47) | ESR1CPT1BOPRM1OPRD1ELANE | |
| SCHEMBL4252283 | 0.80 | ESR1 (0.47) | ESR1CPT1BOPRM1OPRD1ELANE | |
| SCHEMBL4258950 | 0.77 | ESR1 (0.47) | ESR1PGRCHRM2ADORA3AR | |
| SCHEMBL4257434 | 0.77 | ESR1 (0.47) | ESR1PGRCHRM2ADORA3AR | |
| SCHEMBL4257439 | 0.76 | ESR1 (0.50) | ESR1PGRCHRM2ADORA3AR | |
| SCHEMBL4258955 | 0.76 | ESR1 (0.50) | ESR1PGRCHRM2ADORA3AR | |
| SCHEMBL3468640 | 0.76 | CA2 (0.59) | ESR1PGRCHRM2ADORA3AR | |
| SCHEMBL3468873 | 0.76 | CA2 (0.59) | ESR1PGRCHRM2ADORA3AR | |
| SCHEMBL3468092 | 0.76 | CA2 (0.59) | ESR1PGRCHRM2ADORA3AR |
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-2005012220-A9 | CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR | SMITHKLINE BEECHAM CORP (US) | 2005-05-19 | — | — | WO | disclosed |