Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 2/20 | 0.39 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5495551 | 0.82 | ESR1 (0.45) | ESR1RIPK1TRPA1TAAR1SLC6A2 | |
| SCHEMBL25490409 | 0.79 | ESR1 (0.54) | ESR1SLC6A2LMNACYP2D6HRH1 | |
| SCHEMBL347187 | 0.78 | SLC6A2 (0.64) | ESR1RIPK1TRPA1TAAR1SLC6A2 | |
| SCHEMBL8643448 | 0.78 | ESR1 (0.55) | ESR1TAAR1LMNACYP2D6PDCD1 | |
| SCHEMBL444227 | 0.77 | TP53 (0.56) | ESR1TAAR1LMNAOPRK1HTR2A | |
| SCHEMBL8767137 | 0.77 | CALM1 (0.55) | ESR1TAAR1SLC6A2LMNASLC6A3 | |
| Ammonia Solution, Strong SCHEMBL10608295 | 0.75 | SLC6A2 (0.61) | ESR1RIPK1TRPA1TAAR1SLC6A2 | |
| SCHEMBL6547023 | 0.75 | PTGS1 (0.55) | ESR1LMNACHRM1HTR2AALOX5AP | |
| SCHEMBL2997237 | 0.75 | TAAR1 (0.40) | ESR1TAAR1SLC6A2CYP2D6SLC6A3 | |
| SCHEMBL8750551 | 0.75 | TSHR (0.54) | ESR1TRPA1TAAR1LMNAPDCD1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105820021-A | 1-phenyl-1-(p-tert-butyl methylphenyl)ethane and synthesis method thereof | 江苏中能化学科技股份有限公司 | 2016-08-03 | — | — | CN | disclosed |
| CN-105820021-A | 1-phenyl-1-(p-tert-butyl methylphenyl)ethane and synthesis method thereof | 江苏中能化学科技股份有限公司 | 2016-08-03 | — | — | CN | disclosed |