Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | GPR3 | P46089 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | TTR | P02766 | 3/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.44 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.44 |
| ▸ | PTPN12 | Q05209 | 1/20 | 0.44 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.44 |
| ▸ | PMM2 | O15305 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11249253 | 1.00 | CYP1A2 (0.54) | CYP1A2GPR3SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL11244432 | 0.98 | CYP1A2 (0.53) | CYP1A2GPR3SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL490172 | 0.91 | TTR (0.54) | CYP1A2SMN1; SMN2RAB9AALDH1A1MAPT | |
| SCHEMBL30414903 | 0.90 | KDM4E (0.48) | CYP1A2SMN1; SMN2RAB9AALDH1A1MAPT | |
| SCHEMBL204515 | 0.90 | KDM4E (0.48) | CYP1A2SMN1; SMN2RAB9AALDH1A1MAPT | |
| SCHEMBL30839928 | 0.89 | CYP1A2 (0.67) | CYP1A2GPR3SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL3111619 | 0.89 | CYP1A2 (0.67) | CYP1A2GPR3SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL15041003 | 0.87 | GPR3 (0.54) | CYP1A2GPR3SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL15041034 | 0.87 | GPR3 (0.54) | CYP1A2GPR3SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL30414825 | 0.86 | KDM4E (0.46) | CYP1A2SMN1; SMN2RAB9AALDH1A1MAPT |
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-114933511-B | Method for quickly converting carboxyl into aldehyde group | 中国科学院兰州化学物理研究所 | 2023-02-24 | — | — | CN | disclosed |
| CN-114933511-A | Method for quickly converting carboxyl into aldehyde group | 中国科学院兰州化学物理研究所 | 2022-08-23 | — | — | CN | disclosed |