Known targets — ChEMBL curated mechanism
KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2
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 | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.48 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.48 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.48 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
| ▸ | F10 | P00742 | 1/20 | 0.46 |
| ▸ | F12 | P00748 | 1/20 | 0.46 |
| ▸ | F7 | P08709 | 1/20 | 0.46 |
| ▸ | F3 | P13726 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | C1S | P09871 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 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 | 0.87 | TSHR (0.48) | ACHETSHRPRSS1PRSS2PRSS3 | |
| O-Xylene SCHEMBL28073786 | 0.85 | TSHR (0.46) | ACHETSHRF2F10F12 | |
| O-Tolylamine SCHEMBL10615202 | 0.84 | CYP3A4 (0.71) | ACHETSHRF2F10F12 | |
| O-Tolylamine SCHEMBL27405954 | 0.84 | CYP3A4 (0.71) | ACHETSHRF2F10F12 | |
| O-Xylene SCHEMBL27995658 | 0.84 | TSHR (0.50) | ACHETSHRPRSS1PRSS2PRSS3 | |
| O-Xylene SCHEMBL6463786 | 0.81 | TSHR (0.62) | ACHETSHRCYP3A4TDP1ALDH1A1 | |
| O-Xylene SCHEMBL26694415 | 0.81 | ACHE (0.62) | ACHETSHRCYP3A4TDP1ALDH1A1 | |
| O-Xylene SCHEMBL6272683 | 0.79 | TSHR (0.83) | ACHETSHRCYP3A4TDP1ALDH1A1 | |
| O-Xylene SCHEMBL21987916 | 0.79 | TSHR (0.83) | ACHETSHRCYP3A4TDP1ALDH1A1 | |
| O-Xylene SCHEMBL16537456 | 0.79 | TSHR (0.83) | ACHETSHRCYP3A4TDP1ALDH1A1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101115610-B | Laser weld of laser transmitting member containing alkaline earth metal salt of anthrapyridone acid dye | ORIENT CHEMICAL IND | 2010-05-19 | — | — | CN | claimed |
| CN-1226486-C | Anti-counterfeit fabre. anti-counterfeit anti-altering paper made from same and mfg method thereof | BEIJING JINDUNHENGYE ANTI COUN (CN) | 2005-11-09 | — | — | CN | claimed |
| CN-110506060-B | Chimeric molecules and uses thereof | 昆士兰大学 | 2024-05-07 | — | — | CN | disclosed |
| CN-115335445-B | Tackifier composition | 花王株式会社 | 2024-05-03 | — | — | CN | disclosed |
| CN-110506060-A | Chimeric molecule and application thereof | UNIV QUEENSLAND | 2019-11-26 | — | — | CN | disclosed |
| CN-102470625-B | There is the flexible pipe of the internal layer of media-resistant, its application and production method | CONTITECH MGW GMBH (DE) | 2016-01-20 | — | — | CN | disclosed |
| CN-102470625-A | Hose with a medium-resistant inner layer, use thereof and method for the production thereof | CONTITECH MGW GMBH | 2012-05-23 | — | — | CN | disclosed |
| CN-101115610-B | Laser weld of laser transmitting member containing alkaline earth metal salt of anthrapyridone acid dye | ORIENT CHEMICAL IND | 2010-05-19 | — | — | CN | disclosed |
| CN-100551677-C | The laser welded body that comprises the laser penetration member of anthraquinone acid dye alkali salt | ORIENT CHEMICAL IND (JP) | 2009-10-21 | — | — | CN | disclosed |
| CN-101410401-A | Spiro[benzopyran] or spiro[benzofuran] derivatives which inhibit the sigma receptor | ESTEVE LABOR DR (ES) | 2009-04-15 | — | — | CN | disclosed |
| CN-101119838-A | Laser welded material of laser beam permeable member containing alkaline earth metal salt of anthraquinone acid dye | ORIENT CHEMICAL IND (JP) | 2008-02-06 | — | — | CN | disclosed |
| CN-101115610-A | Laser weld of laser transmitting member containing alkaline earth metal salt of anthrapyridone acid dye | ORIENT CHEMICAL IND (JP) | 2008-01-30 | — | — | CN | disclosed |
| CN-100343320-C | Laser-transmissible colored resin composition and method for laser welding | ORIENT CHEMICAL IND (JP) | 2007-10-17 | — | — | CN | disclosed |
| CN-1226486-C | Anti-counterfeit fabre. anti-counterfeit anti-altering paper made from same and mfg method thereof | BEIJING JINDUNHENGYE ANTI COUN (CN) | 2005-11-09 | — | — | CN | disclosed |
| CN-1618848-A | Laser-transmissible colored resin composition and method for laser welding | ORIENT CHEMICAL IND (JP) | 2005-05-25 | — | — | CN | disclosed |
| CN-1483893-A | Anti-counterfeit fabre. anti-counterfeit anti-altering paper made from same and mfg method thereof | 北京金盾恒业防伪技术有限公司 | 2004-03-24 | — | — | CN | disclosed |