Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 13/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.51 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.45 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21780715 | 0.90 | LMNA (0.47) | ESR1ESR2AKR1B1LMNANPC1 | |
| SCHEMBL21780868 | 0.87 | TDP1 (0.53) | ESR1ESR2LMNANPC1SLC6A2 | |
| SCHEMBL11547729 | 0.80 | ESR1 (0.68) | ESR1ESR2KMT2ATDP1 | |
| SCHEMBL7107598 | 0.76 | ESR1 (0.75) | ESR1ESR2KMT2ATDP1 | |
| SCHEMBL5456037 | 0.74 | MAOA (0.45) | ESR1ESR2AKR1B1NPC1RAB9A | |
| SCHEMBL11546633 | 0.74 | ESR1 (0.67) | ESR1ESR2LMNASLC6A2SLC6A3 | |
| SCHEMBL30898314 | 0.72 | ESR1 (0.65) | ESR1ESR2LMNAHDAC1SLC6A2 | |
| SCHEMBL11550840 | 0.72 | CNR1 (0.71) | ESR1ESR2LMNASLC6A2SLC6A3 | |
| SCHEMBL21940625 | 0.70 | KMT2A (0.50) | LMNANPC1RAB9ASLC6A2SLC6A3 | |
| SCHEMBL11551107 | 0.69 | CNR1 (0.67) | ESR1ESR2TDP1 |
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-3233828-B1 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2020-03-04 | — | — | EP | disclosed |