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 | 0.59 |
| ▸ | ACHE | P22303 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CES2 | O00748 | 3/20 | 0.46 |
| ▸ | CES1 | P23141 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MYC | P01106 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 SCHEMBL7156831 | 0.97 | TSHR (0.62) | TSHRACHEHPGDALDH1A1CES2 | |
| O-Xylene SCHEMBL1723905 | 0.97 | TSHR (0.62) | TSHRACHEHPGDALDH1A1CES2 | |
| O-Xylene SCHEMBL8940843 | 0.97 | TSHR (0.62) | TSHRACHEHPGDALDH1A1CES2 | |
| O-Xylene SCHEMBL28683193 | 0.94 | TSHR (0.59) | TSHRACHEHPGDALDH1A1CES2 | |
| O-Xylene SCHEMBL28007365 | 0.94 | TSHR (0.59) | TSHRACHEHPGDALDH1A1CES2 | |
| O-Xylene SCHEMBL28771097 | 0.94 | TSHR (0.59) | TSHRACHEHPGDALDH1A1CES2 | |
| O-Xylene SCHEMBL29004231 | 0.94 | TSHR (0.59) | TSHRACHEHPGDALDH1A1CES2 | |
| O-Xylene SCHEMBL510350 | 0.88 | TSHR (0.67) | TSHRACHEHPGDALDH1A1CES2 | |
| O-Xylene SCHEMBL7498508 | 0.88 | TSHR (0.67) | TSHRACHEHPGDALDH1A1CES2 | |
| O-Xylene SCHEMBL28509799 | 0.88 | 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 7 patents. 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 |
| EP-2261209-A1 | Novel crystalline forms of 4-[4-[4- hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha, alpha-dimethylbenene acetic acid and its hydrochloride | Dr. Reddy's Laboratories Ltd. (IN) | 2010-12-15 | — | — | EP | disclosed |
| WO-2007052310-A2 | POLYMORPHS OF FEXOFENADINE HYDROCHLORIDE AND PROCESS FOR THEIR PREPARATION | MOREPEN LABORATORIES LIMITED (IN) | 2007-05-10 | — | — | WO | disclosed |
| WO-2007007347-A1 | INDUSTRIAL PROCESS OF FEXOFENADINE HYDROCHLORIDE WITH CONTROLLED SIDE PRODUCTS | WOCKHARDT LIMITED (IN) | 2007-01-18 | — | — | WO | disclosed |
| 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 | disclosed |
| 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 | disclosed |