Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8530689 | 0.85 | ESR1 (0.35) | ESR1ESR2AKR1C3 | |
| SCHEMBL2906588 | 0.72 | CES2 (0.36) | — | |
| SCHEMBL29672634 | 0.72 | CES2 (0.36) | — | |
| SCHEMBL23723920 | 0.69 | KDM1A (0.33) | ARAKR1C3 | |
| SCHEMBL17356558 | 0.69 | AKR1C3 (0.35) | ESR1ESR2ARAKR1C3 | |
| SCHEMBL30075914 | 0.69 | KDM1A (0.33) | ARAKR1C3 | |
| SCHEMBL14634097 | 0.69 | MPL (0.35) | — | |
| SCHEMBL17359262 | 0.68 | RPS6KA3 (0.46) | — | |
| SCHEMBL17359237 | 0.68 | AKR1C3 (0.34) | ESR1ESR2ARAKR1C3 | |
| SCHEMBL544255 | 0.68 | — | — |
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-5725797-A | Silacyclohexane compound, a process for producing the same, and a liquid crystal composition comprising the same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1998-03-10 | — | — | US | disclosed |