Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL4660033 | 0.86 | ESR1 (0.46) | ESR1ESR2SLC6A4KDM4EMEN1 | |
| SCHEMBL4661381 | 0.85 | ESR1 (0.41) | ESR1ESR2KDM4EMEN1KMT2A | |
| SCHEMBL4660073 | 0.85 | ESR1 (0.41) | ESR1ESR2KDM4EMEN1KMT2A | |
| SCHEMBL4660190 | 0.85 | ESR1 (0.48) | ESR1ESR2KDM4EMEN1KMT2A | |
| SCHEMBL4661489 | 0.84 | ESR1 (0.53) | ESR1ESR2SLC6A4KDM4EMEN1 | |
| SCHEMBL4662659 | 0.84 | ESR1 (0.53) | ESR1ESR2SLC6A4KDM4EMEN1 | |
| SCHEMBL4661552 | 0.82 | ESR1 (0.39) | ESR1ESR2KDM4EMEN1KMT2A | |
| SCHEMBL4661562 | 0.77 | ESR1 (0.43) | ESR1ESR2KDM4EKMT2ACNR2 | |
| SCHEMBL4661384 | 0.76 | SLC6A4 (0.38) | ESR1ESR2SLC6A4KDM4EMEN1 | |
| SCHEMBL4135203 | 0.75 | ESR1 (0.54) | ESR1ESR2SLC6A4KDM4EMEN1 |
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-1620102-B1 | 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS | WYETH CORP (US) | 2008-12-24 | — | — | EP | claimed |