Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL10433853 | 0.84 | CYP1A1 (0.34) | GABRA1GABRB2CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL954886 | 0.82 | MGLL (0.41) | GABRA1GABRB2CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL8120876 | 0.81 | GABRA1 (0.44) | GABRA1GABRB2TSHR | |
| SCHEMBL8763608 | 0.79 | TSHR (0.42) | GABRA1GABRB2CYP1A2MAOBFAAH | |
| SCHEMBL6681972 | 0.77 | GABRA1 (0.52) | GABRA1GABRB2CYP1A2FAAHMGLL | |
| SCHEMBL9184834 | 0.77 | GABRA1 (0.52) | GABRA1GABRB2CYP1A2FAAHHPGD | |
| SCHEMBL28901542 | 0.77 | — | — | |
| SCHEMBL11498091 | 0.77 | ADRA2C (0.44) | GABRA1GABRB2CYP1A2ALDH1A1KDM4E | |
| SCHEMBL28010082 | 0.77 | SGMS2 (0.31) | CYP1A2ALDH1A1KDM4ELMNA | |
| SCHEMBL6397946 | 0.75 | AKR1B1 (0.47) | CYP1A2KDM4EMAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4186270-A | CHLOROMETHYLATION, CONVERSION TO NITRILE, METHYLATION OR ETHYLATION, HYDROLYSIS | THE DOW CHEMICAL COMPANY (US) | 1980-01-29 | — | — | US | claimed |
| EP-0356236-B1 | CHLOROETHYLATION 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-0356236-A2 | Chloroethylation of aromatic hydrocarbons | ETHYL CORPORATION (US) | 1990-02-28 | — | — | EP | disclosed |
| US-4186270-A | CHLOROMETHYLATION, CONVERSION TO NITRILE, METHYLATION OR ETHYLATION, HYDROLYSIS | THE DOW CHEMICAL COMPANY (US) | 1980-01-29 | — | — | US | disclosed |