Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11035500 | 1.00 | TLR4 (0.37) | TLR4ESR2NPC1CASP3RAB9A | |
| SCHEMBL10606509 | 1.00 | TLR4 (0.37) | TLR4ESR2NPC1CASP3RAB9A | |
| SCHEMBL10606505 | 1.00 | TLR4 (0.37) | TLR4ESR2NPC1CASP3RAB9A | |
| SCHEMBL10930771 | 0.99 | TLR4 (0.36) | TLR4ESR2NPC1CASP3RAB9A | |
| SCHEMBL10930766 | 0.99 | TLR4 (0.36) | TLR4ESR2NPC1CASP3RAB9A | |
| SCHEMBL10896353 | 0.93 | TLR4 (0.41) | TLR4ESR2NPC1CASP3RAB9A | |
| SCHEMBL10896345 | 0.93 | TLR4 (0.41) | TLR4ESR2NPC1CASP3RAB9A | |
| SCHEMBL11155920 | 0.92 | ESR2 (0.35) | TLR4ESR2NPSR1TDP1LMNA | |
| SCHEMBL11155924 | 0.92 | ESR2 (0.35) | TLR4ESR2NPSR1TDP1LMNA | |
| SCHEMBL12976249 | 0.89 | TLR4 (0.37) | TLR4ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-59016839-A | — | — | None | — | — | JP | disclosed |
| JP-S5916839-A | 4-(4'-(TRANS-4\"-(TRANS-4'''-SUBSTITUTED-CYCLOHEXYL)-CYCLOHEXYL) CYCLOHEXEN-1'-YL)HALOGENOBENZENE | CHISSO CORP | 1984-01-28 | — | — | JP | disclosed |