Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.72 |
| ▸ | TSHR | P16473 | 3/20 | 0.72 |
| ▸ | ESR1 | P03372 | 2/20 | 0.72 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.72 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.72 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.72 |
| ▸ | KDR | P35968 | 1/20 | 0.72 |
| ▸ | LMNA | P02545 | 4/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | STS | P08842 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.58 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Propylparaben SCHEMBL10582852 | 0.93 | ESR1 (0.86) | ALDH1A1TSHRESR1TDP1CHRM1 | |
| SCHEMBL49950 | 0.92 | ALDH1A1 (0.84) | ALDH1A1TSHRESR1TDP1CHRM1 | |
| Isopropyl Alcohol SCHEMBL28311992 | 0.91 | LMNA (0.86) | ALDH1A1TSHRESR1TDP1CHRM1 | |
| SCHEMBL27647504 | 0.90 | ALDH1A1 (0.81) | ALDH1A1TSHRESR1TDP1CHRM1 | |
| SCHEMBL28758641 | 0.90 | ALDH1A1 (0.81) | ALDH1A1TSHRESR1TDP1CHRM1 | |
| SCHEMBL27647586 | 0.90 | ALDH1A1 (0.81) | ALDH1A1TSHRESR1TDP1CHRM1 | |
| SCHEMBL27667930 | 0.90 | ALDH1A1 (0.81) | ALDH1A1TSHRESR1TDP1CHRM1 | |
| SCHEMBL27667922 | 0.90 | ALDH1A1 (0.81) | ALDH1A1TSHRESR1TDP1CHRM1 | |
| SCHEMBL27647501 | 0.90 | ALDH1A1 (0.81) | ALDH1A1TSHRESR1TDP1CHRM1 | |
| Methane SCHEMBL27699232 | 0.90 | ALDH1A1 (0.81) | ALDH1A1TSHRESR1TDP1CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112898124-B | Co-production preparation method of p-xylene and p-methylbenzyl alcohol | 天津普莱化工技术有限公司 | 2023-02-03 | — | — | CN | disclosed |