Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.76 |
| ▸ | LMNA | P02545 | 2/20 | 0.76 |
| ▸ | CES1 | P23141 | 3/20 | 0.61 |
| ▸ | CES2 | O00748 | 2/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | CRHBP | P24387 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.52 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
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 SCHEMBL11331939 | 0.95 | ALDH1A1 (0.76) | ALDH1A1LMNACES1CES2MAPK1 | |
| Nitrobenzene SCHEMBL28472005 | 0.93 | ALDH1A1 (0.73) | ALDH1A1LMNACES1CES2MAPK1 | |
| Nitrobenzene SCHEMBL9509478 | 0.91 | ALDH1A1 (0.70) | ALDH1A1LMNACES1CES2MAPK1 | |
| Nitrobenzene SCHEMBL28385245 | 0.91 | ALDH1A1 (0.70) | ALDH1A1LMNACES1CES2MAPK1 | |
| Nitrobenzene SCHEMBL28257833 | 0.91 | ALDH1A1 (0.70) | ALDH1A1LMNACES1CES2MAPK1 | |
| Nitrobenzene SCHEMBL27355882 | 0.91 | ALDH1A1 (0.70) | ALDH1A1LMNACES1CES2MAPK1 | |
| Nitrobenzene SCHEMBL3489404 | 0.90 | ALDH1A1 (0.84) | ALDH1A1LMNACES1CES2MAPK1 | |
| Nitrobenzene SCHEMBL6858789 | 0.90 | ALDH1A1 (0.84) | ALDH1A1LMNACES1CES2MAPK1 | |
| Nitrobenzene SCHEMBL2029354 | 0.90 | ALDH1A1 (0.84) | ALDH1A1LMNACES1CES2MAPK1 | |
| Nitrobenzene SCHEMBL27075815 | 0.90 | ALDH1A1 (0.84) | ALDH1A1LMNACES1CES2MAPK1 |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-122079800-A | Preparation method and analysis method of trans-4-amino-cyclohexyl acetic acid | — | 2026-05-26 | — | — | CN | disclosed |
| CN-219815566-U | Carbon steel reaction tank for synthesizing p-nitrophenylacetic acid | 枣阳星耀化工有限公司 | 2023-10-13 | — | — | CN | disclosed |
| CN-218306731-U | Centrifuge is used in production of p-nitroacetoacetic acid | 枣阳星耀化工有限公司 | 2023-01-17 | — | — | CN | disclosed |
| CN-111808874-B | Encoding gene of phosphotriesterase 8047-PTE and application thereof | 中国科学院微生物研究所 | 2022-10-14 | — | — | CN | disclosed |
| CN-113613720-A | Compositions for improving endothelial function by enhancing flow-mediated dilation | 雀巢产品有限公司 | 2021-11-05 | — | — | CN | disclosed |
| CN-113518625-A | Use of green coffee-based compositions for improving insulin distribution | 雀巢产品有限公司 | 2021-10-19 | — | — | CN | disclosed |
| CN-111808874-A | Encoding gene of phosphotriesterase 8047-PTE and application thereof | 中国科学院微生物研究所 | 2020-10-23 | — | — | CN | disclosed |
| CN-107089954-B | Method for synthesizing aminoquinoxaline mixtures | 常州市阳光药业有限公司 | 2020-04-24 | — | — | CN | disclosed |
| CN-107089954-B | Method for synthesizing aminoquinoxaline mixtures | 常州市阳光药业有限公司 | 2020-04-24 | — | — | CN | disclosed |
| CN-110041199-A | A kind of monomer containing o-phthalaldehyde, by the polymer and preparation method and application of monomer preparation | 中山大学 | 2019-07-23 | — | — | CN | disclosed |
| EP-1316436-A1 | OPTICAL INFORMATION RECORDING MEDIUM | Mitsui Chemicals, Inc. (JP) | 2003-06-04 | — | — | EP | disclosed |
| US-5155793-A | OPTICAL COMPONENT FOR APPLICATIONS IN INTEGRATED OPTICS | THOMSON-CSF (FR) | 1992-10-13 | — | — | US | disclosed |
| US-4511729-A | Nucleophilic substitution process | ETHYL CORPORATION (US) | 1985-04-16 | — | — | US | disclosed |
| US-4502998-A | Nucleophilic substitution process | ETHYL CORPORATION (US) | 1985-03-05 | — | — | US | disclosed |
| US-4499026-A | Nucleophilic substitution process | ETHYL CORPORATION (US) | 1985-02-12 | — | — | US | disclosed |
| US-4499026-A | Nucleophilic substitution process | ETHYL CORPORATION (US) | 1985-02-12 | — | — | US | disclosed |
| US-4476315-A | NITROARYLACETIC ACID ESTERS FROM NITROAROMATIC COMPOUNDS | ETHYL CORPORATION (US) | 1984-10-09 | — | — | US | disclosed |
| US-4476315-A | NITROARYLACETIC ACID ESTERS FROM NITROAROMATIC COMPOUNDS | ETHYL CORPORATION (US) | 1984-10-09 | — | — | US | disclosed |
| US-4289838-A | Diazo-unsaturated monomer light sensitive compositions | POLYCHROME CORPORATION (US) | 1981-09-15 | — | — | US | disclosed |
| US-4275138-A | Photosensitive diazonium compound containing composition and article with β-hydroxyalkyl acrylate or methacrylate | FUJI PHOTO FILM CO., LTD. (JP) | 1981-06-23 | — | — | US | disclosed |