Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 3/20 | 0.33 |
| ▸ | PPARG | P37231 | 3/20 | 0.31 |
| ▸ | THRA | P10827 | 2/20 | 0.31 |
| ▸ | PPARD | Q03181 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
| ▸ | MMP7 | P09237 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | SNCA | P37840 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17457057 | 0.81 | TRPA1 (0.43) | TRPA1SLC6A4CYP2C19 | |
| SCHEMBL29197870 | 0.81 | TRPA1 (0.43) | TRPA1SLC6A4CYP2C19 | |
| SCHEMBL25954313 | 0.79 | LOXL2 (0.47) | ALDH1A1 | |
| SCHEMBL3669411 | 0.78 | ALDH1A1 (0.39) | TRPA1ESR1ESR2ALDH1A1SLC6A4 | |
| SCHEMBL25954319 | 0.74 | PPARG (0.39) | PPARGPPARAALDH1A1MMP2MMP3 | |
| SCHEMBL13491995 | 0.71 | PTGS1 (0.50) | ESR1ALDH1A1 | |
| SCHEMBL18025419 | 0.68 | ALDH1A1 (0.60) | TRPA1ALDH1A1 | |
| SCHEMBL1261172 | 0.68 | ALDH1A1 (0.61) | THRBALDH1A1 | |
| SCHEMBL250981 | 0.67 | TRPA1 (0.46) | TRPA1SLC6A4CYP2C19 | |
| SCHEMBL6876618 | 0.67 | TRPA1 (0.46) | TRPA1SLC6A4CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023147545-A2 | PROCESS FOR PD(II)-CATALYZED SITE-SELECTIVE BETA- AND GAMMA-C(SP3)-H ARYLATION OF PRIMARY ALDEHYDES CONTROLLED BY TRANSIENT DIRECTING GROUPS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2023-08-03 | — | — | WO | disclosed |