Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2051069 | 1.00 | TRPA1 (0.46) | TRPA1ATMESR1ALDH1A1TDP1 | |
| SCHEMBL4483852 | 0.85 | TRPA1 (0.44) | TRPA1ATMESR1ALDH1A1TDP1 | |
| SCHEMBL29359879 | 0.83 | ESR1 (0.43) | TRPA1ATMESR1ALDH1A1TDP1 | |
| SCHEMBL36472 | 0.83 | ESR1 (0.43) | TRPA1ATMESR1ALDH1A1TDP1 | |
| SCHEMBL8890931 | 0.81 | ESR1 (0.41) | TRPA1ATMESR1ALDH1A1TDP1 | |
| SCHEMBL394780 | 0.81 | TRPA1 (0.46) | TRPA1ATMESR1ALDH1A1TDP1 | |
| SCHEMBL30628003 | 0.81 | TRPA1 (0.46) | TRPA1ATMESR1ALDH1A1TDP1 | |
| SCHEMBL1053673 | 0.81 | ESR1 (0.41) | TRPA1ATMESR1ALDH1A1TDP1 | |
| SCHEMBL30799097 | 0.79 | ALDH1A1 (0.45) | TRPA1ATMESR1ALDH1A1TDP1 | |
| SCHEMBL245349 | 0.79 | ALDH1A1 (0.45) | TRPA1ATMESR1ALDH1A1TDP1 |
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-112679635-B | Preparation method of supported metallocene catalyst and catalyst prepared by preparation method | 中国石油化工股份有限公司 | 2024-03-26 | — | — | CN | disclosed |
| CN-112638975-B | Method for reducing aldehyde emissions in polyurethane foams | 陶氏环球技术有限责任公司 | 2023-05-16 | — | — | CN | disclosed |