Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 20/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20143157 | 1.00 | ESR1 (0.51) | ESR1HDAC6HDAC1 | |
| SCHEMBL19439357 | 0.93 | ESR1 (0.51) | ESR1HDAC6 | |
| SCHEMBL19439362 | 0.93 | ESR1 (0.51) | ESR1HDAC6 | |
| SCHEMBL19454190 | 0.93 | ESR1 (0.51) | ESR1HDAC6 | |
| SCHEMBL27147351 | 0.84 | ESR1 (0.56) | ESR1 | |
| SCHEMBL30822543 | 0.84 | ESR1 (0.56) | ESR1 | |
| SCHEMBL23958496 | 0.83 | ESR1 (0.42) | ESR1HDAC6 | |
| SCHEMBL20143132 | 0.82 | ESR1 (0.59) | ESR1 | |
| SCHEMBL20143128 | 0.82 | ESR1 (0.59) | ESR1 | |
| SCHEMBL23958536 | 0.81 | ESR1 (0.42) | ESR1HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| US-9969732-B2 | Tetrahydroisoquinoline estrogen receptor modulators and uses thereof | GENENTECH, INC. (US) | 2018-05-15 | — | — | US | disclosed |