Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.49 |
| ▸ | APLNR | P35414 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | CCR6 | P51684 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
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-Nitrotoluene SCHEMBL6481181 | 0.95 | ACHE (0.60) | ACHEHSD17B10ALDH1A1LMNAKMT2A | |
| SCHEMBL19272432 | 0.91 | ACHE (0.69) | ACHEHSD17B10ALDH1A1KMT2AMEN1 | |
| Dinitrophenylene SCHEMBL29222862 | 0.91 | TSHR (0.57) | ACHEHSD17B10ALDH1A1LMNAKMT2A | |
| Dinitrophenylene SCHEMBL9007683 | 0.88 | TSHR (0.58) | ACHEHSD17B10ALDH1A1LMNAKMT2A | |
| SCHEMBL11898072 | 0.87 | CES1 (0.67) | ACHEHSD17B10ALDH1A1LMNAKMT2A | |
| SCHEMBL28234580 | 0.87 | POLB (0.64) | ACHEHSD17B10ALDH1A1KMT2AMEN1 | |
| 4-Nitroaniline SCHEMBL8400816 | 0.83 | ALDH1A1 (0.58) | ACHEHSD17B10ALDH1A1KMT2AMEN1 | |
| 4-Nitrotoluene SCHEMBL11648100 | 0.83 | ACHE (0.82) | ACHEHSD17B10ALDH1A1LMNAKMT2A | |
| SCHEMBL932442 | 0.83 | SMN1; SMN2 (0.73) | ALDH1A1LMNASMN1; SMN2TSHRCYP2D6 | |
| SCHEMBL13836876 | 0.83 | SMN1; SMN2 (0.73) | ALDH1A1LMNASMN1; SMN2TSHRCYP2D6 |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8647526-B2 | Two component etching | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2014-02-11 | — | — | US | claimed |
| US-20120085965-A1 | TWO COMPONENT ETCHING | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2012-04-12 | — | — | US | claimed |
| EP-2438140-A1 | TWO COMPONENT ETCHING | Merck Patent GmbH (DE) | 2012-04-11 | — | — | EP | claimed |
| WO-2010139390-A1 | TWO COMPONENT ETCHING | MERCK PATENT GMBH (DE) | 2010-12-09 | — | — | WO | claimed |
| EP-2470369-B1 | LITHOGRAPHIC PRINTING PLATE PRECURSORS AND STACKS | EASTMAN KODAK CO (US) | 2014-03-19 | — | — | EP | disclosed |
| US-8647526-B2 | Two component etching | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2014-02-11 | — | — | US | disclosed |
| US-8420297-B2 | Developers and method of coloring lithographic printing members | EASTMAN KODAK COMPANY (US) | 2013-04-16 | — | — | US | disclosed |
| US-8383319-B2 | Lithographic printing plate precursors and stacks | EASTMAN KODAK COMPANY (US) | 2013-02-26 | — | — | US | disclosed |
| US-20120231394-A1 | IMAGEABLE ELEMENTS WITH COLORANTS | QUALEX INC. | 2012-09-13 | — | — | US | disclosed |
| EP-2470369-A1 | LITHOGRAPHIC PRINTING PLATE PRECURSORS AND STACKS | Eastman Kodak Company (US) | 2012-07-04 | — | — | EP | disclosed |
| US-20120085965-A1 | TWO COMPONENT ETCHING | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2012-04-12 | — | — | US | disclosed |
| EP-2438140-A1 | TWO COMPONENT ETCHING | Merck Patent GmbH (DE) | 2012-04-11 | — | — | EP | disclosed |
| EP-2168011-A2 | METHOD USING HIGHLY ALKALINE DEVELOPER REGENERATOR COMPOSITION | Eastman Kodak Company (US) | 2010-03-31 | — | — | EP | disclosed |
| EP-2152933-A1 | METHOD OF MAKING LITHOGRAPHIC PRINTING PLATE SUBSTRATE AND IMAGEABLE ELEMENTS | Eastman Kodak Company (US) | 2010-02-17 | — | — | EP | disclosed |
| US-20080318162-A1 | USE OF HIGHLY ALKALINE DEVELOPER REGENERATOR COMPOSITION | QUALEX INC. | 2008-12-25 | — | — | US | disclosed |
| WO-2008156557-A2 | METHOD USING HIGHLY ALKALINE DEVELOPER REGENERATOR COMPOSITION | EASTMAN KODAK COMPANY (US) | 2008-12-24 | — | — | WO | disclosed |
| WO-2008153838-A1 | METHOD OF MAKING LITHOGRAPHIC PRINTING PLATE SUBSTRATE AND IMAGEABLE ELEMENTS | EASTMAN KODAK COMPANY (US) | 2008-12-18 | — | — | WO | disclosed |
| US-20080305435-A1 | METHOD OF MAKING LITHOGRAPHIC PRINTING PLATE SUBSTRATE AND IMAGEABLE ELEMENTS | EASTMAN KODAK COMPANY | 2008-12-11 | — | — | US | disclosed |
| US-20080299491-A1 | HIGHLY ALKALINE DEVELOPER COMPOSITION AND METHODS OF USE | EASTMAN KODAK COMPANY | 2008-12-04 | — | — | US | disclosed |
| US-20080003411-A1 | Aluminum lithographic substrate and method of making | EASTMAN KODAK COMPANY | 2008-01-03 | — | — | US | disclosed |