Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8735042 | 1.00 | TLR4 (0.47) | TLR4CYP1A2CCR2PKMHTT | |
| SCHEMBL28299619 | 0.85 | TLR4 (0.37) | TLR4CYP1A2CYP19A1 | |
| SCHEMBL11382008 | 0.80 | TLR4 (0.49) | TLR4CYP1A2HTTCYP19A1 | |
| SCHEMBL6910065 | 0.79 | CYP1A2 (0.46) | TLR4CYP1A2CCR2PKMHTT | |
| SCHEMBL13378068 | 0.79 | CYP1A2 (0.46) | TLR4CYP1A2CCR2PKMHTT | |
| SCHEMBL1255189 | 0.79 | CYP1A2 (0.46) | TLR4CYP1A2CCR2PKMHTT | |
| SCHEMBL2892324 | 0.79 | CYP1A2 (0.46) | TLR4CYP1A2CCR2PKMHTT | |
| SCHEMBL10450627 | 0.79 | CYP1A2 (0.44) | TLR4CYP1A2CCR2PKMHTT | |
| SCHEMBL10449828 | 0.79 | CYP1A2 (0.44) | TLR4CYP1A2CCR2PKMHTT | |
| SCHEMBL10450626 | 0.79 | CYP1A2 (0.44) | TLR4CYP1A2CCR2PKMHTT |
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-0846670-A1 | CYCLOHEXANE DERIVATIVES AND LIQUID-CRYSTAL COMPOSITIONS | CHISSO CORPORATION (JP) | 1998-06-10 | — | — | EP | disclosed |