Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Toluene. 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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.47 |
| ▸ | CES1 | P23141 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | NAAA | Q02083 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL2357321 | 0.96 | CES2 (0.50) | CES2CES1TSHRLMNAALOX12 | |
| Toluene SCHEMBL8853666 | 0.94 | CES2 (0.48) | CES2CES1TSHRLMNAALOX12 | |
| Heptane SCHEMBL2077664 | 0.94 | CES2 (0.52) | CES2CES1TSHRLMNAALOX12 | |
| Toluene SCHEMBL1201404 | 0.91 | CES2 (0.50) | CES2CES1TSHRLMNAALOX12 | |
| Toluene SCHEMBL20568019 | 0.91 | LMNA (0.55) | CES2CES1TSHRLMNAALOX12 | |
| Toluene SCHEMBL9396513 | 0.91 | LMNA (0.55) | CES2CES1TSHRLMNAALOX12 | |
| 1-Hexanol SCHEMBL28875247 | 0.90 | LMNA (0.48) | CES2CES1TSHRLMNANAAA | |
| Toluene SCHEMBL28481131 | 0.89 | LMNA (0.52) | CES2CES1TSHRLMNAALOX12 | |
| Toluene SCHEMBL8981699 | 0.89 | LMNA (0.52) | CES2CES1TSHRLMNAALOX12 | |
| Toluene SCHEMBL27586340 | 0.89 | CES2 (0.50) | CES2CES1LMNAMEN1KMT2A |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102253161-B | Method for detecting content of beta-cryptoxanthin in persistent calyx of physalis | QINHUANGDAO DAHUI BIOLOG TECHNOLOGY CO LTD | 2013-04-17 | — | — | CN | claimed |
| CN-102253161-A | Method for detecting content of beta-cryptoxanthin in persistent calyx of physalis | QINHUANGDAO DAHUI BIOLOG TECHNOLOGY CO LTD | 2011-11-23 | — | — | CN | claimed |
| WO-2023276155-A1 | GINGER PROCESSED PRODUCT PRODUCTION METHOD AND GINGER PROCESSED PRODUCT | ＫＲＡＦＴ株式会社 | 2023-01-05 | — | — | WO | disclosed |
| CN-108668557-B | Method for enriching lutein by using germinated corn, product and application thereof | 江苏省农业科学院 | 2021-01-19 | — | — | CN | disclosed |
| US-20200390052-A1 | CHINESE LANTERN CLONAL LINE KI1496 | BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT | 2020-12-17 | — | — | US | disclosed |
| CN-106614754-B | Insect excrement extract, preparation method thereof and application thereof in plants | 瑞麦德兴(北京)生物科技有限公司 | 2020-03-27 | — | — | CN | disclosed |
| CN-108668557-A | It is a kind of to utilize method of germination corn enrichment lutein and products thereof and application | 江苏省农业科学院 | 2018-10-19 | — | — | CN | disclosed |
| US-20170325481-A1 | METHOD OF FORMING ENCAPSULATED COMPOSITIONS WITH ENHANCED SOLUBILITY AND STABILITY | KEMIN IND INC (US) | 2017-11-16 | — | — | US | disclosed |
| US-9717265-B2 | Rumen-protected lutein product for producing high-lutein dairy products | KEMIN INDUSTRIES, INC. (US) | 2017-08-01 | — | — | US | disclosed |
| US-20170143646-A1 | EFFECT OF LIPOPHILIC NUTRIENTS ON DIABETIC EYE DISEASES | OMNIACTIVE HEALTH TECHNOLOGIES LIMITED (IN) | 2017-05-25 | — | — | US | disclosed |
| CN-106614754-A | Fecula extract, preparation method thereof, and application of fecula extract to plants | 善土（北京）生物科技有限公司 | 2017-05-10 | — | — | CN | disclosed |
| US-20090090168-A1 | Embedded Piezoelectric Microcantilever Sensors | NATIONAL SCIENCE FOUNDATION | 2009-04-09 | — | — | US | disclosed |
| US-7395693-B2 | Embedded piezoelectric microcantilever sensors | The Arizona Board of Regents, a body corporate of the state of Arizona acting for Northern Arizona University (US) | 2008-07-08 | — | — | US | disclosed |
| WO-2008080152-A2 | CAROTENOID-BASED PIGMENTER | KEMIN INDUSTRIES, INC. (US) | 2008-07-03 | — | — | WO | disclosed |
| US-20070119236-A1 | Embedded piezoelectric microcantilever sensors | NATIONAL SCIENCE FOUNDATION | 2007-05-31 | — | — | US | disclosed |
| US-7223909-B2 | Genome contains a transgene that encodes a chimeric ketolase enzyme polypeptide having two portions, an N-terminal portion containing plastid transit peptide portion fused to a second ketolase enzyme portion | BALL HORTICULTURAL (US) | 2007-05-29 | — | — | US | disclosed |
| US-20060171995-A1 | Formulation for increasing the deposition of dietary carotenoids in eggs | BANK OF AMERICA, N.A., AS COLLATERAL AGENT | 2006-08-03 | — | — | US | disclosed |
| US-6844020-B2 | Solutions of carotenoids for use in foods and personal care products | KEMIN FOODS, L.C. (US) | 2005-01-18 | — | — | US | disclosed |
| US-20040018279-A1 | Solutions of carotenoids for use in foods and personal care products | BANK OF AMERICA, N.A., AS COLLATERAL AGENT | 2004-01-29 | — | — | US | disclosed |
| US-20040003430-A1 | Genome contains a transgene that encodes a chimeric ketolase enzyme polypeptide having two portions, an N-terminal portion containing plastid transit peptide portion fused to a second ketolase enzyme portion | BALL HORTICULTURAL | 2004-01-01 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040003430-A1 | Genome contains a transgene that encodes a chimeric ketolase enzyme polypeptide having two portions, an N-terminal portion containing plastid transit peptide portion fused to a second ketolase enzyme portion | CYP11A1, COASY, CPN1 | CES2 500/4885CES1 40/4885TSHR 2098/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.