Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.51 |
| ▸ | PGR | P06401 | 4/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23849173 | 0.89 | ESR1 (0.46) | ESR1ESR2PGRKCNJ1 | |
| SCHEMBL21451571 | 0.86 | ESR1 (0.51) | ESR1ESR2PGRKCNJ1 | |
| SCHEMBL803200 | 0.85 | ESR1 (0.62) | ESR1ESR2PGRTDP2NSD2 | |
| SCHEMBL23289004 | 0.82 | ESR1 (0.42) | ESR1ESR2KCNJ1 | |
| SCHEMBL22644204 | 0.82 | ESR1 (0.43) | ESR1ESR2KCNJ1 | |
| SCHEMBL802785 | 0.76 | ESR1 (0.51) | ESR1ESR2PGRTDP2NSD2 | |
| SCHEMBL803047 | 0.74 | ESR1 (0.50) | ESR1ESR2PGRTDP2NSD2 | |
| SCHEMBL14883992 | 0.71 | PSMB5 (0.52) | ESR1ESR2TDP2NSD2HSP90AA1 | |
| SCHEMBL23284915 | 0.70 | ESR1 (0.44) | ESR1ESR2TDP2NSD2HSP90AA1 | |
| SCHEMBL14883956 | 0.68 | PSMB5 (0.49) | ESR1ESR2TDP2NSD2HSP90AA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3481916-B1 | ELECTRONIC SWITCH | MERCK PATENT GMBH (DE) | 2021-11-03 | — | — | EP | disclosed |
| WO-2020225398-A1 | AROMATIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2020-11-12 | — | — | WO | disclosed |