Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4303583 | 1.00 | CYP2D6 (0.32) | CYP2D6HTTSMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL4016775 | 0.75 | SMN1; SMN2 (0.32) | CYP2D6HTTSMN1; SMN2 | |
| SCHEMBL14911103 | 0.74 | — | — | |
| SCHEMBL7261140 | 0.73 | POLB (0.31) | SMN1; SMN2 | |
| SCHEMBL3905171 | 0.73 | SMN1; SMN2 (0.38) | CYP2D6HTTSMN1; SMN2 | |
| SCHEMBL1857962 | 0.73 | SMN1; SMN2 (0.31) | SMN1; SMN2 | |
| SCHEMBL688825 | 0.73 | SMN1; SMN2 (0.38) | CYP2D6HTTSMN1; SMN2 | |
| SCHEMBL688697 | 0.73 | SMN1; SMN2 (0.38) | CYP2D6HTTSMN1; SMN2 | |
| SCHEMBL6206281 | 0.71 | CHRM2 (0.38) | — | |
| SCHEMBL27717359 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2456781-A2 | 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ACYLOXYALKYLENE PHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES | Bayer Pharma Aktiengesellschaft (DE) | 2012-05-30 | — | — | EP | disclosed |