Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 5/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL28877171 | 0.86 | TRPA1 (0.55) | TRPA1ALDH1A1CA1CA2CA12 | |
| Methoxymethane SCHEMBL27763536 | 0.85 | TRPA1 (0.85) | TRPA1ALDH1A1CA1CA2CA12 | |
| Bicarbonate SCHEMBL8910156 | 0.83 | TRPA1 (0.81) | TRPA1ALDH1A1CA1CA2CA12 | |
| SCHEMBL67369 | 0.82 | — | — | |
| SCHEMBL20563577 | 0.82 | TRPA1 (1.00) | TRPA1ALDH1A1CA1CA2CA12 | |
| Oxalic Acid SCHEMBL27798141 | 0.81 | TRPA1 (0.77) | TRPA1ALDH1A1CA1CA2CA12 | |
| Acetic Acid SCHEMBL4221099 | 0.81 | TRPA1 (0.77) | TRPA1ALDH1A1CA1CA2CA12 | |
| SCHEMBL27785717 | 0.81 | TRPA1 (0.63) | TRPA1ALDH1A1CA1CA2CA12 | |
| Formaldehyde SCHEMBL27890391 | 0.81 | TRPA1 (0.85) | TRPA1ALDH1A1CA1CA2HSD17B10 | |
| SCHEMBL1937642 | 0.80 | TRPA1 (0.94) | TRPA1ALDH1A1CA1CA2CA12 |
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-101544564-A | Chemical synthetic method for para-methyl catechol diacetoxyl dimethyl ester | HANGZHOU ZHEDA PANACO CHEMICAL | 2009-09-30 | — | — | CN | claimed |
| CN-101544564-A | Chemical synthetic method for para-methyl catechol diacetoxyl dimethyl ester | HANGZHOU ZHEDA PANACO CHEMICAL | 2009-09-30 | — | — | CN | disclosed |