Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.85 |
| ▸ | CES1 | P23141 | 2/20 | 0.59 |
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| 4-Nitrobenzoyl Chloride SCHEMBL28873526 | 0.92 | ALDH1A1 (1.00) | ALDH1A1CES1CA1CA2TDP1 | |
| 4-Nitrobenzoyl Chloride SCHEMBL43141 | 0.92 | ALDH1A1 (1.00) | ALDH1A1CES1CA1CA2TDP1 | |
| 4-Nitrobenzoyl Chloride SCHEMBL5400755 | 0.90 | ALDH1A1 (0.96) | ALDH1A1CES1CA1CA2TDP1 | |
| SCHEMBL3032088 | 0.86 | ALDH1A1 (0.88) | ALDH1A1CES1CA1CA2TDP1 | |
| 4-Nitrobenzoyl Chloride SCHEMBL27787602 | 0.86 | ALDH1A1 (0.88) | ALDH1A1CES1CA1CA2TDP1 | |
| 4-Nitrobenzoyl Chloride SCHEMBL9129925 | 0.86 | ALDH1A1 (0.88) | ALDH1A1CES1CA1CA2TDP1 | |
| 4-Nitrobenzoyl Chloride SCHEMBL9613734 | 0.85 | ALDH1A1 (0.85) | ALDH1A1CES1CA1CA2TDP1 | |
| 4-Nitrobenzoyl Chloride SCHEMBL28780944 | 0.85 | ALDH1A1 (0.85) | ALDH1A1CES1CA1CA2TDP1 | |
| 4-Nitrobenzoic Acid SCHEMBL28796437 | 0.85 | TDP1 (0.81) | ALDH1A1CES1CA1CA2TDP1 | |
| SCHEMBL7785604 | 0.81 | ALDH1A1 (0.79) | ALDH1A1CES1CA1CA2TDP1 |
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-106866422-A | The process for refining of paranitrobenzoyl chloride | 山东凯盛新材料有限公司 | 2017-06-20 | — | — | CN | disclosed |
| CN-106866423-A | The aftertreatment technology of paranitrobenzoyl chloride | 山东凯盛新材料有限公司 | 2017-06-20 | — | — | CN | disclosed |