Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 10/20 | 0.62 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | EBP | Q15125 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | LSS | P48449 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5732868 | 1.00 | ESR1 (0.62) | ESR1ESR2ADORA2AADORA1KMT2A | |
| SCHEMBL6756238 | 0.82 | ESR1 (0.80) | ESR1ESR2EBPSIGMAR1LSS | |
| SCHEMBL17152127 | 0.79 | ESR1 (0.69) | ESR1ESR2HTR7EBPSIGMAR1 | |
| SCHEMBL6756246 | 0.76 | ESR1 (0.72) | ESR1ESR2EBPSIGMAR1LSS | |
| SCHEMBL13350201 | 0.76 | ESR1 (0.71) | ESR1ESR2EBPSIGMAR1 | |
| SCHEMBL6756233 | 0.73 | ESR1 (0.68) | ESR1ESR2ADORA2AADORA1KMT2A | |
| SCHEMBL8004280 | 0.73 | ESR1 (0.70) | ESR1ESR2EBPSIGMAR1LTA4H | |
| SCHEMBL11880808 | 0.70 | ESR1 (0.72) | ESR1ESR2KMT2AEBPSIGMAR1 | |
| SCHEMBL1793325 | 0.69 | HRH3 (0.54) | ESR1KMT2ALTA4HKDM4EALDH1A1 | |
| SCHEMBL16938064 | 0.69 | HTR2B (0.69) | ESR1KMT2AHTR7SIGMAR1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1127045-B1 | TRIPHENYLBUTENE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS | ASTRAZENECA AB (SE) | 2006-11-02 | — | — | EP | disclosed |
| US-6489481-B1 | COMPOUNDS USED FOR TREATMENT AND/OR PREVENTION OF NEURONAL APOPTOSIS AND/OR EXCITOTOXICITY RELATED NEUROLOGICAL DISORDERS | ASTRAZENECA AB (SE) | 2002-12-03 | — | — | US | disclosed |