Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 9/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19797160 | 1.00 | TLR4 (0.50) | TLR4CYP2D6PKMCYP2C19EPHX2 | |
| SCHEMBL21218153 | 0.90 | TLR4 (0.50) | TLR4CYP2D6PKMCYP2C19EPHX2 | |
| SCHEMBL21142094 | 0.90 | TLR4 (0.50) | TLR4CYP2D6PKMCYP2C19EPHX2 | |
| SCHEMBL871297 | 0.84 | TLR4 (0.68) | TLR4CYP2D6PKMCYP2C19EPHX2 | |
| SCHEMBL20111179 | 0.81 | TLR4 (0.46) | TLR4CYP2D6PKMCYP2C19EPHX2 | |
| SCHEMBL19970515 | 0.79 | TLR4 (0.46) | TLR4CYP2D6PKMCYP2C19EPHX2 | |
| SCHEMBL20111169 | 0.77 | TLR4 (0.44) | TLR4CYP2D6PKMCYP2C19EPHX2 | |
| SCHEMBL14216749 | 0.77 | TLR4 (0.44) | TLR4CYP2D6PKMCYP2C19EPHX2 | |
| SCHEMBL19797158 | 0.77 | TLR4 (0.43) | TLR4CYP2D6PKMCYP2C19HTT | |
| SCHEMBL20111174 | 0.76 | TLR4 (0.43) | TLR4CYP2D6PKMCYP2C19EPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018016657-A1 | ETHYL 6-[(2-CHLORO-4-FLUOROPHENYL)METHANESULFONYL]-3-METHYLCYCLOHEX-1-ENE-1-CARBOXYLATE AS TLR4 ANTAGONIST | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-01-25 | — | — | WO | disclosed |
| WO-2018016657-A1 | ETHYL 6-[(2-CHLORO-4-FLUOROPHENYL)METHANESULFONYL]-3-METHYLCYCLOHEX-1-ENE-1-CARBOXYLATE AS TLR4 ANTAGONIST | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-01-25 | — | — | WO | disclosed |