Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Dinitrophenylene. 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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | ACHE | P22303 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA5A | P35218 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | MMP1 | P03956 | 1/20 | 0.51 |
| ▸ | MMP2 | P08253 | 1/20 | 0.51 |
| ▸ | MMP9 | P14780 | 1/20 | 0.51 |
| ▸ | MMP8 | P22894 | 1/20 | 0.51 |
| ▸ | MMP13 | P45452 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Dinitrophenylene SCHEMBL29222862 | 0.95 | TSHR (0.57) | TSHRACHELMNACYP1A2CYP3A4 | |
| SCHEMBL18423828 | 0.90 | KMT2A (0.50) | TSHRACHELMNACYP1A2CYP3A4 | |
| 3-Nitro-Phenol SCHEMBL9470484 | 0.88 | TSHR (0.61) | TSHRACHELMNACYP1A2CYP3A4 | |
| Nitrobenzene SCHEMBL660753 | 0.88 | ACHE (0.57) | TSHRACHELMNACYP1A2CYP3A4 | |
| Dinitrophenylene SCHEMBL28073760 | 0.86 | GAA (0.62) | TSHRLMNAKMT2AGAAHTT | |
| SCHEMBL19272432 | 0.86 | ACHE (0.69) | ACHEKMT2AGAAALDH1A1CA2 | |
| 4-Nitrotoluene SCHEMBL6481181 | 0.83 | ACHE (0.60) | TSHRACHELMNAKMT2AALDH1A1 | |
| Dinitrophenylene SCHEMBL28000305 | 0.83 | ALDH1A1 (0.62) | TSHRLMNAKMT2AGAAHTT | |
| Ethane SCHEMBL21001656 | 0.83 | KMT2A (0.68) | TSHRACHELMNAKMT2AGAA | |
| Dinitrophenylene SCHEMBL28048277 | 0.83 | TSHR (0.52) | TSHRACHELMNACYP1A2CYP3A4 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118084769-A | Preparation and application of cyanine dye-based targeted near infrared fluorescent probe | 中国科学院基础医学与肿瘤研究所(筹) | 2024-05-28 | — | — | CN | claimed |
| CN-118084769-A | Preparation and application of cyanine dye-based targeted near infrared fluorescent probe | 中国科学院基础医学与肿瘤研究所(筹) | 2024-05-28 | — | — | CN | disclosed |
| CN-109799680-A | Chemical amplification positive photosensitive resin composition and its application | 奇美实业股份有限公司 | 2019-05-24 | — | — | CN | disclosed |
| CN-109557764-A | Chemically amplified positive photosensitive resin composition, resist pattern and method for forming the same, and electronic device | 奇美实业股份有限公司 | 2019-04-02 | — | — | CN | disclosed |
| CN-109116681-A | Chemically amplified positive photosensitive resin composition, photoresist pattern and method for forming the same, and electronic device | 奇美实业股份有限公司 | 2019-01-01 | — | — | CN | disclosed |
| CN-108241256-A | Chemically amplified positive photosensitive resin composition, method for producing substrate with mold, and method for producing molded article by plating | 奇美实业股份有限公司 | 2018-07-03 | — | — | CN | disclosed |
| CN-108241257-A | Chemically amplified positive photosensitive resin composition, method for producing substrate with mold, and method for producing molded article by plating | 奇美实业股份有限公司 | 2018-07-03 | — | — | CN | disclosed |
| CN-107870517-A | Chemically amplified positive photosensitive resin composition, method for producing substrate with mold, and method for producing molded article by plating | 奇美实业股份有限公司 | 2018-04-03 | — | — | CN | disclosed |
| US-5587274-A | POLYMER HAVING AN ACID VALUE OF 2 TO 200; A PHOTOACTIVATOR WHICH GENERATES AN ACID IN RESPONSE TO LIGHT IRRADIATION | NIPPON PAINT CO., LTD. (JP) | 1996-12-24 | — | — | US | disclosed |
| EP-0574939-A1 | Resist composition | Nippon Paint Co., Ltd. (JP) | 1993-12-22 | — | — | EP | disclosed |