Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of O-Xylene. 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 | 1/20 | 0.62 |
| ▸ | ACHE | P22303 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CES2 | O00748 | 3/20 | 0.48 |
| ▸ | CES1 | P23141 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | MYC | P01106 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.45 |
| ▸ | FEN1 | P39748 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| O-Xylene SCHEMBL8940843 | 1.00 | TSHR (0.62) | TSHRACHEHPGDALDH1A1CES2 | |
| O-Xylene SCHEMBL7156831 | 1.00 | TSHR (0.62) | TSHRACHEHPGDALDH1A1CES2 | |
| O-Xylene SCHEMBL29004231 | 0.97 | TSHR (0.59) | TSHRACHEHPGDALDH1A1CES2 | |
| O-Xylene SCHEMBL28771097 | 0.97 | TSHR (0.59) | TSHRACHEHPGDALDH1A1CES2 | |
| O-Xylene SCHEMBL28683193 | 0.97 | TSHR (0.59) | TSHRACHEHPGDALDH1A1CES2 | |
| O-Xylene SCHEMBL3407664 | 0.97 | TSHR (0.59) | TSHRACHEHPGDALDH1A1CES2 | |
| O-Xylene SCHEMBL28007365 | 0.97 | TSHR (0.59) | TSHRACHEHPGDALDH1A1CES2 | |
| O-Xylene SCHEMBL510350 | 0.90 | TSHR (0.67) | TSHRACHEHPGDALDH1A1CES2 | |
| O-Xylene SCHEMBL28509799 | 0.90 | TSHR (0.67) | TSHRACHEHPGDALDH1A1CES2 | |
| O-Xylene SCHEMBL7498508 | 0.90 | TSHR (0.67) | TSHRACHEHPGDALDH1A1CES2 |
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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1399422-A2 | NOVEL CRYSTALLINE FORMS OF 4-[4-[4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDINYL] -1-HYDROXYBUTYL] -A,A-DIMETHYLBENZENE ACETIC ACID AND ITS HYDROCHLORIDE | Dr. Reddy's Laboratories Ltd. (IN) | 2004-03-24 | — | — | EP | claimed |
| WO-2002102777-A2 | NOVEL CRYSTALLINE FORMS OF 4-[4-[4-(HYDROXYDIPHENYLMETHYL)-1-PIPERINDINYL]-1-HYDROXYBUTYL]-α, α-DIMETHYLBENZENE ACETIC ACID AND ITS HYDROCHLORIDE | DR. REDDY'S LABORATORIES LTD. (IN) | 2002-12-27 | — | — | WO | claimed |
| CN-118666666-A | Preparation method of alkyl phenylacetic acid derivative | 浙江九洲药业股份有限公司 | 2024-09-20 | — | — | CN | disclosed |
| WO-2023087614-A1 | NYLON TOUGHENING AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 广州鹿山新材料股份有限公司 | 2023-05-25 | — | — | WO | disclosed |
| CN-105377851-B | BET bromodomain inhibitors and therapeutic methods using these inhibitors | 密执安州立大学董事会 | 2018-07-20 | — | — | CN | disclosed |
| CN-108299688-A | A kind of three-dimensional pattern slip-proof glove and its preparation process | 山东登升安防科技有限公司 | 2018-07-20 | — | — | CN | disclosed |
| CN-105566573-B | High fluidity metallocene ldpe resin graft and preparation method thereof | 中国石油化工股份有限公司 | 2018-05-04 | — | — | CN | disclosed |
| US-9831448-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2017-11-28 | — | — | US | disclosed |
| CN-105263921-B | Terazololine-one compound and its application | 住友化学株式会社 | 2017-07-21 | — | — | CN | disclosed |
| CN-106596826-A | Method for determining benzene and benzene series content in cellulose acetate fiber and cellulose acetate fiber mouth stick | 江苏中烟工业有限责任公司 | 2017-04-26 | — | — | CN | disclosed |
| CN-103571184-B | Nylon 6 molding composition, and preparation method and application thereof | 金发科技股份有限公司 | 2017-04-19 | — | — | CN | disclosed |
| CN-1217730-A | Phosphoric acid esters of polyoxyalkylene ether block copolymers and dispersions thereof | ZENECA LTD (GB) | 1999-05-26 | — | — | CN | disclosed |
| WO-1998052989-A2 | POLYURETHANE COMPOSITIONS MADE FROM HYDROXY-TERMINATED POLYDIENE POLYMERS | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1998-11-26 | — | — | WO | disclosed |
| WO-1997026304-A1 | FLEXIBLE AMINOPLAST-CURABLE FILM-FORMING COMPOSITIONS AND COMPOSITE COATING | PPG INDUSTRIES, INC. (US) | 1997-07-24 | — | — | WO | disclosed |
| CN-1104239-A | Synthesized liquid fuel | DEYANG CITY HIGH NEW TECHNOLOG (CN) | 1995-06-28 | — | — | CN | disclosed |
| US-5243069-A | Radiation curable, coatings, adhesives, binders | ROHM AND HAAS COMPANY (US) | 1993-09-07 | — | — | US | disclosed |
| US-5034464-A | Protective coatings from curable anhydride/epoxy groups for finishing substrates | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-07-23 | — | — | US | disclosed |
| US-4330353-A | ADDING A POLYESTER TO THE COATING OF VINYL POLYMER DISPERSED IN A NATURAL RESIN OR TO THE OVERCOAT OF EPOXY RESIN | TOYO SEIKAN KAISHA, LTD. (JP) | 1982-05-18 | — | — | US | disclosed |
| US-4270665-A | METAL ARTICLE COATED WITH EPOXY RESIN AND A POLYESTER WETTING IMPROVER | TOYO SEIKAN KAISHA, LTD. (JP) | 1981-06-02 | — | — | US | disclosed |
| US-4126549-A | PREVENTION OF SCALE AND CORROSION BY ADDING A HYDROLYZED TERPOLYMER OF MALEIC ANHYDRIDE | CIBA-GEIGY (UK) LIMITED (GB) | 1978-11-21 | — | — | US | disclosed |