Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 8/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL689246 | 1.00 | ESR1 (0.47) | ESR1ALOX5PTGS1PTGS2KDM4E | |
| Hx-1171 SCHEMBL29375871 | 0.93 | ESR1 (0.50) | ESR1ALOX5NR5A1 | |
| Hx-1171 SCHEMBL688955 | 0.93 | ESR1 (0.50) | ESR1ALOX5NR5A1 | |
| SCHEMBL25329980 | 0.91 | PTGS1 (0.45) | ESR1ALOX5PTGS1PTGS2KDM4E | |
| SCHEMBL5588257 | 0.89 | ESR1 (0.47) | ESR1ALOX5PTGS1PTGS2RARB | |
| SCHEMBL30356518 | 0.86 | ESR1 (0.45) | ESR1ALOX5PTGS1PTGS2RARB | |
| SCHEMBL16069600 | 0.86 | ESR1 (0.42) | ESR1ALOX5KDM4EALDH1A1LMNA | |
| SCHEMBL25329401 | 0.84 | ESR1 (0.44) | ESR1ALOX5PTGS1PTGS2TP53 | |
| SCHEMBL24784358 | 0.82 | TSHR (0.41) | ESR1ALOX5KDM4EALDH1A1MAPT | |
| SCHEMBL4449475 | 0.82 | ALDH1A1 (0.42) | ESR1KDM4EALDH1A1LMNAMAPT |
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-118108589-A | Preparation method of vitamin E intermediate 2,3, 5-trimethylbenzoquinone | 浙江新和成药业有限公司 | 2024-05-31 | — | — | CN | disclosed |
| CN-115697954-A | Polymerization inhibitor | 巴斯夫欧洲公司 | 2023-02-03 | — | — | CN | disclosed |