Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | SNCA | P37840 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.37 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30208637 | 1.00 | TSHR (0.49) | TSHRALDH1A1MAPTTTRSNCA | |
| SCHEMBL4978604 | 0.87 | TSHR (0.46) | TSHRALDH1A1MAPTSNCAPOLB | |
| SCHEMBL5284482 | 0.87 | TSHR (0.46) | TSHRALDH1A1MAPTSNCAPOLB | |
| SCHEMBL6426528 | 0.83 | ALDH1A1 (0.43) | TSHRALDH1A1MAPTTTRSNCA | |
| SCHEMBL9477777 | 0.81 | BACE1 (0.47) | TSHRALDH1A1SNCACYP1A2GPR35 | |
| Dimethylamine SCHEMBL7133569 | 0.80 | MAPT (0.46) | TSHRALDH1A1MAPTTTRSNCA | |
| SCHEMBL515466 | 0.80 | MAPT (0.54) | TSHRALDH1A1MAPTTTRSNCA | |
| SCHEMBL16618604 | 0.79 | TSHR (0.43) | TSHRALDH1A1MAPTSNCAPOLB | |
| SCHEMBL5284406 | 0.79 | MAPT (0.41) | TSHRALDH1A1MAPTCYP1A2SMN1; SMN2 | |
| SCHEMBL6489968 | 0.79 | ATM (0.55) | TSHRALDH1A1MAPTTTRSNCA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112661691-B | O-nitroacetophenol derivative and preparation method and application thereof | 广东省科学院化工研究所 | 2023-02-28 | — | — | CN | claimed |
| CN-112661691-A | O-nitroacetophenol derivative and preparation method and application thereof | 广东省科学院化工研究所 | 2021-04-16 | — | — | CN | claimed |
| CN-112661691-B | O-nitroacetophenol derivative and preparation method and application thereof | 广东省科学院化工研究所 | 2023-02-28 | — | — | CN | disclosed |
| CN-112661691-A | O-nitroacetophenol derivative and preparation method and application thereof | 广东省科学院化工研究所 | 2021-04-16 | — | — | CN | disclosed |