Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | OXER1 | Q8TDS5 | 2/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12694289 | 1.00 | TSHR (0.54) | TSHRALDH1A1LMNAHCAR2KEAP1 | |
| SCHEMBL21489670 | 0.94 | ALDH1A1 (0.61) | TSHRALDH1A1LMNAHCAR2KEAP1 | |
| SCHEMBL21489671 | 0.94 | ALDH1A1 (0.61) | TSHRALDH1A1LMNAHCAR2KEAP1 | |
| SCHEMBL21489710 | 0.92 | ALDH1A1 (0.65) | TSHRALDH1A1LMNAHCAR2KEAP1 | |
| SCHEMBL23647596 | 0.92 | ALDH1A1 (0.65) | TSHRALDH1A1LMNAHCAR2KEAP1 | |
| SCHEMBL811866 | 0.92 | ALDH1A1 (0.65) | TSHRALDH1A1LMNAHCAR2KEAP1 | |
| SCHEMBL23073887 | 0.92 | ALDH1A1 (0.65) | TSHRALDH1A1LMNAHCAR2KEAP1 | |
| SCHEMBL23777270 | 0.92 | ALDH1A1 (0.65) | TSHRALDH1A1LMNAHCAR2KEAP1 | |
| SCHEMBL23647597 | 0.92 | ALDH1A1 (0.65) | TSHRALDH1A1LMNAHCAR2KEAP1 | |
| SCHEMBL21489709 | 0.92 | ALDH1A1 (0.65) | TSHRALDH1A1LMNAHCAR2KEAP1 |
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-110452122-B | Heptenedioic diacid dimethyl ester compound and preparation method and application thereof | 山东大学 | 2020-05-29 | — | — | CN | claimed |