Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H3 | Q13133 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | FBP1 | P09467 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.41 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7952758 | 1.00 | NR1H3 (0.59) | NR1H3CYP1A2AHRNR1H2FBP1 | |
| SCHEMBL7954348 | 0.83 | NFE2L2 (0.51) | NR1H3FBP1MAOB | |
| SCHEMBL7952109 | 0.81 | NFE2L2 (0.48) | NR1H3MAOB | |
| SCHEMBL7952104 | 0.81 | NFE2L2 (0.48) | NR1H3MAOB | |
| SCHEMBL6752627 | 0.81 | CYP1A2 (0.44) | NR1H3CYP1A2MAOBHDAC3HDAC1 | |
| SCHEMBL6752629 | 0.81 | CYP1A2 (0.44) | NR1H3CYP1A2MAOBHDAC3HDAC1 | |
| SCHEMBL8119602 | 0.80 | PIM1 (0.43) | NR1H3HDAC1HDAC8 | |
| SCHEMBL8119603 | 0.80 | PIM1 (0.43) | NR1H3HDAC1HDAC8 | |
| SCHEMBL545973 | 0.80 | NR1H3 (0.40) | NR1H3CHRM5 | |
| SCHEMBL5446741 | 0.80 | NR1H3 (0.40) | NR1H3AHRCHRM5 |
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 |
|---|---|---|---|---|---|---|---|
| US-6232475-B1 | REACTING A SUBSTITUTED BROMOBENZENE WITH N-VINYLIMIDE; CATALYTIC HYDROGENATION | BAYER AKTIENGESELLSCHAFT (DE) | 2001-05-15 | — | — | US | disclosed |
| EP-1013637-A2 | Process for the preparation of fluor containing phenethylamines and fluor containing beta-iminovinyl- and beta-iminoethylphenyl compounds | Bayer Aktiengesellschaft (DE) | 2000-06-28 | — | — | EP | disclosed |