Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 4/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.48 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.30 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6681972 | 0.82 | GABRA1 (0.52) | GABRA1GABRB2TSHRSLC6A2SLC6A4 | |
| SCHEMBL9184834 | 0.82 | GABRA1 (0.52) | GABRA1GABRB2TSHRSLC6A2TAAR1 | |
| SCHEMBL9463585 | 0.82 | P2RX7 (0.37) | GABRA1GABRB2P2RX7TSHRSLC6A2 | |
| SCHEMBL11265054 | 0.78 | P2RX7 (0.39) | GABRA1GABRB2P2RX7TSHRSLC6A2 | |
| SCHEMBL11262186 | 0.78 | GABRA1 (0.43) | GABRA1GABRB2P2RX7TSHRSLC6A2 | |
| SCHEMBL31158055 | 0.78 | P2RX7 (0.39) | GABRA1GABRB2P2RX7TSHRSLC6A2 | |
| SCHEMBL873677 | 0.78 | GABRA1 (0.54) | GABRA1GABRB2TSHRSLC6A2GABRG2 | |
| SCHEMBL8558576 | 0.78 | GABRA1 (0.48) | GABRA1GABRB2TSHRSLC6A2TAAR1 | |
| SCHEMBL9118442 | 0.78 | GABRA1 (0.54) | GABRA1GABRB2TSHRSLC6A2GABRG2 | |
| SCHEMBL840750 | 0.78 | GABRA1 (0.64) | GABRA1GABRB2SLC6A2TAAR1MAOA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0356235-B1 | BROMOETHYLATION OF AROMATIC HYDROCARBONS | ETHYL CORPORATION (US) | 1993-03-31 | — | — | EP | disclosed |
| US-5001288-A | Haloethylation of aromatic hydrocarbons | ETHYL CORPORATION (US) | 1991-03-19 | — | — | US | disclosed |
| EP-0356235-A2 | Bromoethylation of aromatic hydrocarbons | ETHYL CORPORATION (US) | 1990-02-28 | — | — | EP | disclosed |