Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ARG1 | P05089 | 2/20 | 0.31 |
| ▸ | ARG2 | P78540 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1971456 | 0.69 | CYP2C19 (0.35) | KDM4E | |
| SCHEMBL22921247 | 0.69 | AKR1B1 (0.36) | — | |
| SCHEMBL7777082 | 0.67 | — | — | |
| SCHEMBL29951712 | 0.66 | CYP2C19 (0.33) | — | |
| SCHEMBL1527341 | 0.65 | — | — | |
| SCHEMBL21780553 | 0.65 | EPHX1 (0.30) | — | |
| SCHEMBL22759622 | 0.65 | EPHX1 (0.30) | — | |
| SCHEMBL20776450 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL5665222 | 0.64 | — | — | |
| SCHEMBL1821191 | 0.62 | CYP2C19 (0.56) | — |
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-2760878-B1 | ESTRA-1,3,5(10),16-TETRAENE-3-CARBOXAMIDE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS | BAYER IP GMBH (DE) | 2015-10-28 | — | — | EP | disclosed |