Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 2/20 | 0.39 |
| ▸ | CTSK | P43235 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | SLC22A12 | Q96S37 | 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 | |
|---|---|---|---|---|
| SCHEMBL4661381 | 1.00 | ESR1 (0.41) | ESR1ESR2CTSSCTSKALOX5 | |
| SCHEMBL4661489 | 0.87 | ESR1 (0.53) | ESR1ESR2CTSSCTSKKDM4E | |
| SCHEMBL4662659 | 0.87 | ESR1 (0.53) | ESR1ESR2CTSSCTSKKDM4E | |
| SCHEMBL4661280 | 0.85 | ESR1 (0.42) | ESR1ESR2CTSSCTSKALOX5 | |
| SCHEMBL4661470 | 0.85 | ESR1 (0.42) | ESR1ESR2CTSSCTSKALOX5 | |
| SCHEMBL6407531 | 0.85 | ESR1 (0.42) | ESR1ESR2CTSSCTSKALOX5 | |
| SCHEMBL4659951 | 0.85 | ESR1 (0.42) | ESR1ESR2CTSSCTSKALOX5 | |
| SCHEMBL4661576 | 0.85 | ESR1 (0.45) | ESR1ESR2CTSSCTSKKDM4E | |
| SCHEMBL4661552 | 0.85 | ESR1 (0.39) | ESR1ESR2CTSSCTSKKDM4E | |
| SCHEMBL4660190 | 0.84 | ESR1 (0.48) | ESR1ESR2CTSSCTSKKDM4E |
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 |