Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.49 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | HTR7 | P34969 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1053969 | 0.91 | TSHR (0.55) | TSHRCYP1A2ADRA2AADRA2BADRA2C | |
| SCHEMBL11300785 | 0.89 | ESR1 (0.45) | TSHRCYP1A2ADRA2AADRA2BADRA2C | |
| SCHEMBL11296786 | 0.88 | ADRA2A (0.34) | TSHRCYP1A2ADRA2AADRA2BADRA2C | |
| SCHEMBL10487817 | 0.84 | ADRA2A (0.50) | TSHRCYP1A2ADRA2AADRA2BADRA2C | |
| Acetone SCHEMBL9668689 | 0.80 | ADRA2A (0.47) | TSHRCYP1A2ADRA2AADRA2BADRA2C | |
| Cyanate SCHEMBL10900805 | 0.78 | ADRA2A (0.46) | TSHRCYP1A2ADRA2AADRA2BADRA2C | |
| SCHEMBL196657 | 0.78 | TSHR (0.50) | TSHRCYP1A2ADRA2AADRA2BADRA2C | |
| SCHEMBL5605956 | 0.77 | ADRA2A (0.45) | TSHRCYP1A2ADRA2AADRA2BADRA2C | |
| SCHEMBL29358402 | 0.76 | ADRA2A (0.47) | TSHRCYP1A2ADRA2AADRA2BADRA2C | |
| SCHEMBL115911 | 0.76 | ADRA2A (0.47) | TSHRCYP1A2ADRA2AADRA2BADRA2C |
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-0015758-B1 | PROCESS FOR PRODUCING STYRENES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1982-05-05 | — | — | EP | disclosed |
| EP-0015758-A1 | Process for producing styrenes | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1980-09-17 | — | — | EP | disclosed |