Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | CHAT | P28329 | 3/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL28005106 | 0.93 | CHAT (0.44) | NFE2L2TRPA1CYP19A1MAOAMAOB | |
| Propanol SCHEMBL27730497 | 0.92 | TRPA1 (0.43) | NFE2L2TRPA1CYP19A1MAOAMAOB | |
| SCHEMBL133219 | 0.91 | NFE2L2 (0.50) | NFE2L2TRPA1CYP19A1MAOAMAOB | |
| (Z)-1,2-Diphenylethene SCHEMBL27457740 | 0.91 | NFE2L2 (0.50) | NFE2L2TRPA1CYP19A1MAOAMAOB | |
| SCHEMBL38342 | 0.91 | NFE2L2 (0.50) | NFE2L2TRPA1CYP19A1MAOAMAOB | |
| SCHEMBL15285379 | 0.89 | NFE2L2 (0.48) | NFE2L2TRPA1CYP19A1MAOAMAOB | |
| Hydrochloric Acid SCHEMBL4620961 | 0.89 | NFE2L2 (0.48) | NFE2L2TRPA1CYP19A1MAOAMAOB | |
| SCHEMBL28357751 | 0.89 | NFE2L2 (0.48) | NFE2L2TRPA1CYP19A1MAOAMAOB | |
| Methylene Chloride SCHEMBL28143521 | 0.88 | NFE2L2 (0.44) | NFE2L2TRPA1CYP19A1MAOAMAOB | |
| Toluene SCHEMBL27514878 | 0.86 | NFE2L2 (0.46) | NFE2L2TRPA1CYP19A1MAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-106749665-A | The novel conjugates of the analogs of CC 1065 and bifunctional linker | 辛塔佳有限公司 | 2017-05-31 | — | — | CN | disclosed |
| CN-103118679-B | Conjugates of CC-1065 Analogs and Bifunctional Linkers | SYNTARGA B.V. (NL) | 2016-12-14 | — | — | CN | disclosed |