Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.56 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.56 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.56 |
| ▸ | ESR1 | P03372 | 3/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.47 |
| ▸ | ERN1 | O75460 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | LPL | P06858 | 1/20 | 0.43 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.43 |
| ▸ | ESRRG | P62508 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7448864 | 0.98 | CYP2A6 (0.58) | CYP2A6CYP2E1CYP2B6ESR1ESR2 | |
| SCHEMBL649500 | 0.98 | CYP2A6 (0.58) | CYP2A6CYP2E1CYP2B6ESR1ESR2 | |
| SCHEMBL14542299 | 0.86 | ESR2 (0.54) | CYP2A6CYP2E1CYP2B6ESR1ESR2 | |
| SCHEMBL4312306 | 0.86 | CYP17A1 (0.66) | CYP2A6CYP2E1CYP2B6ESR1ESR2 | |
| SCHEMBL27989815 | 0.84 | CYP2A6 (0.74) | CYP2A6CYP2E1CYP2B6ACMSDERN1 | |
| SCHEMBL2125063 | 0.79 | CYP2A6 (0.72) | CYP2A6CYP2E1CYP2B6ACMSDERN1 | |
| SCHEMBL13210803 | 0.77 | ESR1 (0.61) | CYP2B6ESR1ESR2ACMSDERN1 | |
| SCHEMBL6067952 | 0.76 | CYP2A6 (0.50) | CYP2A6CYP2E1CYP2B6ACMSDERN1 | |
| SCHEMBL1501311 | 0.76 | ESR1 (0.92) | ESR1ESR2MEN1KMT2AMMP3 | |
| SCHEMBL28085164 | 0.76 | ESR1 (0.92) | ESR1ESR2MEN1KMT2AMMP3 |
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-1882562-A | Benzofurans and benzothiophenes | MERCK PATENT GMBH (DE) | 2006-12-20 | — | — | CN | claimed |
| CN-1882562-A | Benzofurans and benzothiophenes | MERCK PATENT GMBH (DE) | 2006-12-20 | — | — | CN | disclosed |