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 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | NQO2 | P16083 | 5/20 | 0.43 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | F10 | P00742 | 1/20 | 0.41 |
| ▸ | F12 | P00748 | 1/20 | 0.41 |
| ▸ | F7 | P08709 | 1/20 | 0.41 |
| ▸ | F3 | P13726 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
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 SCHEMBL28329565 | 0.98 | TSHR (0.48) | TSHRACHENQO2MYCHPGD | |
| O-Xylene SCHEMBL28007365 | 0.88 | TSHR (0.59) | TSHRACHEMYCHPGDALDH1A1 | |
| Toluene SCHEMBL28073777 | 0.86 | LMNA (0.50) | TSHRACHENQO2ALDH1A1POLB | |
| O-Xylene SCHEMBL8940843 | 0.85 | TSHR (0.62) | TSHRACHEMYCHPGDALDH1A1 | |
| O-Xylene SCHEMBL7156831 | 0.85 | TSHR (0.62) | TSHRACHEMYCHPGDALDH1A1 | |
| O-Xylene SCHEMBL27502292 | 0.85 | ACHE (0.62) | TSHRACHEALDH1A1POLBBLM | |
| O-Xylene SCHEMBL1723905 | 0.85 | TSHR (0.62) | TSHRACHEMYCHPGDALDH1A1 | |
| Naphthalene SCHEMBL28830071 | 0.84 | NQO2 (0.44) | TSHRNQO2HPGDALDH1A1POLB | |
| Biphenyl SCHEMBL27879827 | 0.84 | NQO2 (0.53) | TSHRNQO2ALDH1A1POLBBLM | |
| Toluene SCHEMBL27260089 | 0.84 | LMNA (0.52) | TSHRACHENQO2ALDH1A1POLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105652594-A | Self emission type photosensitive resin composition, color filter and image display device | 东友精细化工有限公司 | 2016-06-08 | — | — | CN | disclosed |