Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | THPO | P40225 | 1/20 | 0.30 |
| ▸ | STAT6 | P42226 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | GMNN | O75496 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MTOR | P42345 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL3858841 | 0.74 | GRM2 (0.31) | CYP1A2CYP2C19LMNAMTOR | |
| SCHEMBL9583485 | 0.74 | CYP1A2 (0.30) | CYP1A2 | |
| SCHEMBL988593 | 0.73 | CYP1A2 (0.38) | CYP1A2FFAR3MAPK1TP53NFKB1 | |
| SCHEMBL28824051 | 0.72 | — | — | |
| SCHEMBL2277283 | 0.71 | FFAR3 (0.39) | CYP1A2FFAR3MAPK1TP53NFKB1 | |
| SCHEMBL7439240 | 0.71 | CYP1A2 (0.37) | CYP1A2FFAR3MAPK1TP53NFKB1 | |
| SCHEMBL2277288 | 0.71 | FFAR3 (0.39) | CYP1A2FFAR3MAPK1TP53NFKB1 | |
| SCHEMBL2277287 | 0.71 | FFAR3 (0.39) | CYP1A2FFAR3MAPK1TP53NFKB1 | |
| SCHEMBL9697701 | 0.70 | CYP2C19 (0.30) | CYP2C19 | |
| SCHEMBL4612910 | 0.70 | GRM2 (0.32) | CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0468766-A1 | Halogen-containing compounds, herbicidal composition containing the same as an active ingredient, and intermediary compounds therefor | Mitsubishi Chemical Corporation (JP) | 1992-01-29 | — | — | EP | disclosed |