Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.57 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14826759 | 1.00 | CSNK2A1 (0.57) | CSNK2A1TRPA1TP53TDP1HSD17B10 | |
| SCHEMBL686122 | 0.82 | TRPA1 (0.52) | CSNK2A1TRPA1TP53TDP1HSD17B10 | |
| SCHEMBL1820394 | 0.81 | CSNK2A1 (0.40) | CSNK2A1TRPA1TP53TDP1HSD17B10 | |
| SCHEMBL29749725 | 0.81 | CSNK2A1 (0.40) | CSNK2A1TRPA1TP53TDP1HSD17B10 | |
| SCHEMBL13953856 | 0.80 | CSNK2A1 (0.55) | CSNK2A1TRPA1TP53TDP1HSD17B10 | |
| SCHEMBL13978699 | 0.79 | ESR1 (0.50) | MCL1 | |
| SCHEMBL29899097 | 0.79 | CA12 (0.52) | HSD17B10ALOX15ALDH1A1LMNAGAA | |
| SCHEMBL9744070 | 0.79 | CA12 (0.52) | HSD17B10ALOX15ALDH1A1LMNAGAA | |
| SCHEMBL8154014 | 0.79 | MEN1 (0.46) | CSNK2A1TRPA1TP53TDP1HSD17B10 | |
| SCHEMBL17089321 | 0.77 | CSNK2A1 (0.57) | CSNK2A1TRPA1TP53TDP1HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117024253-A | Preparation method of medicinal thymol specific impurity | 江西阿尔法高科药业有限公司 | 2023-11-10 | — | — | CN | claimed |
| CN-117024253-A | Preparation method of medicinal thymol specific impurity | 江西阿尔法高科药业有限公司 | 2023-11-10 | — | — | CN | disclosed |
| CN-117024253-A | Preparation method of medicinal thymol specific impurity | 江西阿尔法高科药业有限公司 | 2023-11-10 | — | — | CN | disclosed |