Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 11/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL2691796 | 0.82 | — | — | |
| SCHEMBL7622428 | 0.81 | MEN1 (0.34) | TLR4CYP1A2CYP19A1MEN1KMT2A | |
| SCHEMBL9190051 | 0.80 | TLR4 (0.44) | TLR4KMT2A | |
| SCHEMBL2690407 | 0.76 | CYP1A2 (0.47) | TLR4CYP1A2CYP19A1 | |
| SCHEMBL11382008 | 0.75 | TLR4 (0.49) | TLR4CYP1A2CYP19A1 | |
| SCHEMBL28115082 | 0.75 | TLR4 (0.41) | TLR4CYP1A2CYP19A1 | |
| SCHEMBL28035595 | 0.75 | TLR4 (0.41) | TLR4CYP1A2CYP19A1MEN1KMT2A | |
| SCHEMBL9924737 | 0.75 | TLR4 (0.53) | TLR4 | |
| SCHEMBL6907551 | 0.75 | TLR4 (0.47) | TLR4KMT2A | |
| SCHEMBL1824692 | 0.75 | NPC1 (0.45) | TLR4CYP1A2TP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109704932-A | Catalytic hydrogenation prepares 2,6- di-t-butyl -4 methyl cyclohexanol method | 中国石油化工股份有限公司 | 2019-05-03 | — | — | CN | disclosed |