Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | DAO | P14920 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL11092961 | 0.84 | TRPA1 (0.57) | TRPA1POLBALOX15HSD17B10DAO | |
| SCHEMBL7565930 | 0.83 | TRPA1 (0.61) | TRPA1POLBCNR1CNR2ALOX15 | |
| SCHEMBL10888353 | 0.78 | MEN1 (0.38) | TRPA1ALOX15HSD17B10ALDH1A1GAA | |
| SCHEMBL10470094 | 0.76 | ALOX15 (0.45) | POLBALOX15HSD17B10ALDH1A1GAA | |
| SCHEMBL5988981 | 0.74 | TRPA1 (0.50) | TRPA1POLBALOX15HSD17B10ALDH1A1 | |
| SCHEMBL27353332 | 0.73 | TRPA1 (0.39) | TRPA1ALDH1A1GAAMAPTKDM4E | |
| SCHEMBL56556 | 0.73 | TRPA1 (1.00) | TRPA1POLBCNR1ALOX15HSD17B10 | |
| SCHEMBL30290839 | 0.73 | TRPA1 (1.00) | TRPA1POLBCNR1ALOX15HSD17B10 | |
| SCHEMBL10503140 | 0.73 | ALDH1A1 (0.53) | ALOX15HSD17B10ALDH1A1GAAMAPT | |
| SCHEMBL11659597 | 0.73 | MAPT (0.52) | TRPA1POLBALOX15HSD17B10DAO |
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-3728532-B1 | ODOROUS ACETALS OF ETHYL VANILLIN AND ETHYL VANILLIN DERIVATIVES | S H KELKAR AND COMPANY LTD (IN) | 2021-11-10 | — | — | EP | disclosed |