Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Nitrobenzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 known ✓ | Q9NR96 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.76 |
| ▸ | LMNA | P02545 | 3/20 | 0.76 |
| ▸ | CES2 | O00748 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 4/20 | 0.53 |
| ▸ | CA12 | O43570 | 2/20 | 0.53 |
| ▸ | CA9 | Q16790 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | CRHBP | P24387 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Nitrobenzene SCHEMBL21980877 | 0.98 | ALDH1A1 (0.73) | ALDH1A1LMNACES2CES1CA2 | |
| Nitrobenzene SCHEMBL11152218 | 0.98 | ALDH1A1 (0.73) | ALDH1A1LMNACES2CES1CA2 | |
| Nitrobenzene SCHEMBL19327164 | 0.96 | ALDH1A1 (0.70) | ALDH1A1LMNACES2CES1CA2 | |
| Nitrobenzene SCHEMBL27560682 | 0.91 | ALDH1A1 (0.70) | ALDH1A1LMNACES2CES1CA2 | |
| Nitrobenzene SCHEMBL11152213 | 0.91 | ALDH1A1 (0.70) | ALDH1A1LMNACES2CES1CA2 | |
| Nitrobenzene SCHEMBL8367518 | 0.91 | ALDH1A1 (0.70) | ALDH1A1LMNACES2CES1CA2 | |
| Nitrobenzene SCHEMBL6572610 | 0.91 | ALDH1A1 (0.70) | ALDH1A1LMNACES2CES1CA2 | |
| Sulfuric Acid SCHEMBL28654341 | 0.87 | CA1 (0.62) | ALDH1A1LMNACES1CA2CA12 | |
| Nitrobenzene SCHEMBL27304275 | 0.87 | ALDH1A1 (0.89) | ALDH1A1LMNACES2CES1CA2 | |
| Nitrobenzene SCHEMBL1330714 | 0.87 | — | — |
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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114616340-A | Process for the synthesis of anticoagulant polysaccharides | 奥普蒂姆维亚有限公司 | 2022-06-10 | — | — | CN | claimed |
| CN-113646427-A | Engineered arylsulfate-dependent enzymes | 奥普蒂姆维亚有限公司 | 2021-11-12 | — | — | CN | claimed |
| US-6660406-B2 | Method for manufacturing printed wiring board comprising electrodeposited copper foil with carrier and resistor circuit; and printed wiring board comprising resistor circuit | MITSUI MINING & SMELTING CO., LTD. (JP) | 2003-12-09 | — | — | US | claimed |
| EP-1229768-A1 | CARRIER-FOILED COMPOSITE COPPER FOIL, METHOD FOR MANUFACTURING PRINTED CIRCUIT BOARD WITH RESISTANCE CIRCUIT, AND PRINTED CIRCUIT BOARD HAVING RESISTANCE CIRCUIT | Mitsui Mining & Smelting Co., Ltd. (JP) | 2002-08-07 | — | — | EP | claimed |
| US-20020004123-A1 | Method for manufacturing printed wiring board comprising electrodeposited copper foil with carrier and resistor circuit; and printed wiring board comprising resistor circuit | MITSUI MINING & SMELTING CO., LTD. (JP) | 2002-01-10 | — | — | US | claimed |
| EP-0661388-B1 | Chemical etchant for palladium | AT & T CORP (US) | 2001-07-11 | — | — | EP | claimed |
| JP-6220010-A | — | — | None | — | — | JP | disclosed |
| CN-119320125-A | Method for recycling nitric acid from nitrified yellow water | 万华化学(福建)异氰酸酯有限公司 | 2025-01-17 | — | — | CN | disclosed |
| CN-113003702-B | Method for strengthening anaerobic reduction of nitrobenzene by using electrochemical regulation and control of sulfur circulation | 南京理工大学 | 2023-01-20 | — | — | CN | disclosed |
| CN-114616340-A | Process for the synthesis of anticoagulant polysaccharides | 奥普蒂姆维亚有限公司 | 2022-06-10 | — | — | CN | disclosed |
| CN-114616340-A | Process for the synthesis of anticoagulant polysaccharides | 奥普蒂姆维亚有限公司 | 2022-06-10 | — | — | CN | disclosed |
| CN-114107328-A | Application of regulatory gene and calbindin in regulation of iron deficiency response of rhinestone algae | 中国热带农业科学院热带生物技术研究所 | 2022-03-01 | — | — | CN | disclosed |
| CN-113646427-A | Engineered arylsulfate-dependent enzymes | 奥普蒂姆维亚有限公司 | 2021-11-12 | — | — | CN | disclosed |
| EP-0111223-B1 | PROCESS FOR PHOSPHATIZING METALLIC SURFACES, AND SOLUTIONS FOR USE THEREIN | Gerhard Collardin GmbH (DE) | 1987-06-10 | — | — | EP | disclosed |
| EP-0178255-A1 | Process for fixing dyeings or printings | CIBA-GEIGY AG (CH) | 1986-04-16 | — | — | EP | disclosed |
| EP-0177449-A1 | Process for printing cellulosic fibres | CIBA-GEIGY AG (CH) | 1986-04-09 | — | — | EP | disclosed |
| EP-0111223-A1 | Process for phosphatizing metallic surfaces, and solutions for use therein | Gerhard Collardin GmbH (DE) | 1984-06-20 | — | — | EP | disclosed |
| EP-0059782-A1 | Process for producing concentrated aqueous dyestuff preparations of anionic paper or wool dyes | CIBA-GEIGY AG (CH) | 1982-09-15 | — | — | EP | disclosed |
| EP-0041240-A1 | Process for spray dyeing of leather | CIBA-GEIGY AG (CH) | 1981-12-09 | — | — | EP | disclosed |
| US-4190510-A | Process for the electrophoretic breaking of emulsions | BAYER AKTIENGESELLSCHAFT (DE) | 1980-02-26 | — | — | US | disclosed |