Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | FAAH | O00519 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | ACE2 | Q9BYF1 | 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 | |
|---|---|---|---|---|
| Acetic Acid Propyl Ester SCHEMBL3100913 | 0.95 | ALDH1A1 (0.57) | ALDH1A1TSHRFAAHCA1PTPN1 | |
| Ethyl Acetate SCHEMBL2534820 | 0.93 | ALDH1A1 (0.56) | ALDH1A1LMNAHSD17B10FAAHCA1 | |
| Ethyl Acetate SCHEMBL9345314 | 0.89 | ALDH1A1 (0.52) | ALDH1A1LMNAHSD17B10FAAHCA1 | |
| Ethyl Acetate SCHEMBL7564192 | 0.88 | ALDH1A1 (0.50) | ALDH1A1LMNAHSD17B10FAAHCA1 | |
| Nonylacetate SCHEMBL18131571 | 0.86 | ALDH1A1 (0.61) | ALDH1A1LMNATSHRFAAHZDHHC7 | |
| Acetic Acid Butyl Ester SCHEMBL8981962 | 0.86 | ALDH1A1 (0.67) | ALDH1A1TSHRFAAHZDHHC7ACE2 | |
| Hexane SCHEMBL27496679 | 0.85 | ALDH1A1 (0.56) | ALDH1A1LMNAHSD17B10TSHRFAAH | |
| Hexane SCHEMBL27497972 | 0.85 | ALDH1A1 (0.56) | ALDH1A1LMNAHSD17B10TSHRFAAH | |
| Hexane SCHEMBL27527360 | 0.85 | ALDH1A1 (0.56) | ALDH1A1LMNAHSD17B10TSHRFAAH | |
| Hexane SCHEMBL27517529 | 0.82 | ALDH1A1 (0.52) | ALDH1A1LMNAHSD17B10TSHRFAAH |
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-1366128-B1 | HOT SEALING COMPOSITION | EVONIK ROEHM GMBH (DE) | 2009-11-25 | — | — | EP | claimed |