Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 10/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | ESRRA | P11474 | 7/20 | 0.49 |
| ▸ | ESRRB | O95718 | 6/20 | 0.49 |
| ▸ | PGR | P06401 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.45 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL26461966 | 0.97 | ESR1 (0.51) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL26461999 | 0.96 | ESR1 (0.52) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL26461970 | 0.91 | ESR1 (0.51) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL26462000 | 0.90 | ESR1 (0.49) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL26461984 | 0.90 | ESR1 (0.50) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL25630796 | 0.88 | ESR1 (0.44) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL23424239 | 0.88 | ESR1 (0.58) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL25630794 | 0.85 | ESR1 (0.56) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL25630341 | 0.85 | ESR1 (0.43) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL26461996 | 0.85 | ESR1 (0.56) | ESR1ESR2HDAC3HDAC6ESRRA |
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-2023105303-A1 | COMPOUNDS FOR THE TREATMENT OF CANCER | KASHIV BIOSCIENCES, LLC (US) | 2023-06-15 | — | — | WO | disclosed |