Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 2/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL6558625 | 0.85 | NAAA (0.47) | NLRP3 | |
| Propylene Oxide SCHEMBL29059113 | 0.79 | ALDH1A1 (0.65) | ALDH1A1NLRP3CES2CES1BCHE | |
| SCHEMBL6918072 | 0.77 | ALDH1A1 (0.61) | ALDH1A1NLRP3CES2CES1FFAR3 | |
| SCHEMBL148628 | 0.75 | TP53 (0.32) | — | |
| SCHEMBL28924819 | 0.74 | ALDH1A1 (0.42) | ALDH1A1 | |
| SCHEMBL28733647 | 0.73 | ALDH1A1 (0.56) | ALDH1A1NLRP3TSHR | |
| SCHEMBL27583021 | 0.73 | THRA (0.30) | THRATHRBBCHEHDAC1HDAC2 | |
| SCHEMBL30568759 | 0.72 | ALDH1A1 (1.00) | ALDH1A1CES2CES1FFAR3HDAC3 | |
| SCHEMBL8158 | 0.72 | ALDH1A1 (1.00) | ALDH1A1CES2CES1FFAR3HDAC3 | |
| SCHEMBL27414978 | 0.72 | ALDH1A1 (0.54) | ALDH1A1CES2CES1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114249747-A | New synthesis process of nitroimidazole pyran medicine for treating wide drug-resistant tuberculosis | 苏州虞美景盛新药开发有限公司 | 2022-03-29 | — | — | CN | claimed |
| CN-109721722-B | Viscosity-reducing type polycarboxylate superplasticizer containing double viscosity-reducing functional groups, and preparation method and application thereof | 广东红墙新材料股份有限公司 | 2021-10-29 | — | — | CN | claimed |
| CN-114249747-A | New synthesis process of nitroimidazole pyran medicine for treating wide drug-resistant tuberculosis | 苏州虞美景盛新药开发有限公司 | 2022-03-29 | — | — | CN | disclosed |