Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 5/20 | 0.85 |
| ▸ | TSHR | P16473 | 2/20 | 0.85 |
| ▸ | LMNA | P02545 | 2/20 | 0.85 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.85 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 SCHEMBL11212689 | 0.96 | ACHE (0.79) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL9793609 | 0.96 | ACHE (0.79) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL4067546 | 0.92 | ACHE (0.85) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL22471986 | 0.92 | ACHE (0.85) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL5718701 | 0.92 | ACHE (0.85) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL14954009 | 0.92 | ACHE (0.85) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL14953879 | 0.92 | ACHE (0.85) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL10187782 | 0.92 | ACHE (0.85) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL17825900 | 0.92 | — | — | |
| Toluene SCHEMBL9872477 | 0.92 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111013611-B | Preparation method of olefin polymerization catalyst and preparation method of poly alpha-olefin base oil | 中国石油天然气股份有限公司 | 2023-06-30 | — | — | CN | claimed |
| CN-111013611-A | Preparation method of olefin polymerization catalyst and preparation method of poly α -olefin base oil | 中国石油天然气股份有限公司 | 2020-04-17 | — | — | CN | claimed |
| CN-109485765-A | A kind of new process of terpene resin preparation | 江西瑞源食品科技有限公司 | 2019-03-19 | — | — | CN | claimed |
| CN-111013611-B | Preparation method of olefin polymerization catalyst and preparation method of poly alpha-olefin base oil | 中国石油天然气股份有限公司 | 2023-06-30 | — | — | CN | disclosed |
| CN-111013611-B | Preparation method of olefin polymerization catalyst and preparation method of poly alpha-olefin base oil | 中国石油天然气股份有限公司 | 2023-06-30 | — | — | CN | disclosed |
| CN-116003459-A | Preparation method of high-purity amino gallium, indium and aluminum compound | 安徽博泰电子材料有限公司 | 2023-04-25 | — | — | CN | disclosed |
| CN-109337749-B | Grease for planetary reducer | 东莞市唯纳孚润滑科技有限公司 | 2022-03-11 | — | — | CN | disclosed |
| CN-109337746-B | Preparation method of lubricating grease for planetary reducer | 东莞市唯纳孚润滑科技有限公司 | 2022-02-15 | — | — | CN | disclosed |
| CN-108772099-B | Preparation method and application of porous polytetrafluoroethylene loaded aluminum trichloride catalyst | 山东大学 | 2020-04-24 | — | — | CN | disclosed |
| CN-111013611-A | Preparation method of olefin polymerization catalyst and preparation method of poly α -olefin base oil | 中国石油天然气股份有限公司 | 2020-04-17 | — | — | CN | disclosed |
| CN-111013611-A | Preparation method of olefin polymerization catalyst and preparation method of poly α -olefin base oil | 中国石油天然气股份有限公司 | 2020-04-17 | — | — | CN | disclosed |
| CN-109485765-A | A kind of new process of terpene resin preparation | 江西瑞源食品科技有限公司 | 2019-03-19 | — | — | CN | disclosed |
| CN-109485765-A | A kind of new process of terpene resin preparation | 江西瑞源食品科技有限公司 | 2019-03-19 | — | — | CN | disclosed |
| US-20180273543-A1 | METHOD FOR PRODUCING LAMELLARIN AND DERIVATIVE THEREOF | TUNGHAI UNIVERSITY (TW) | 2018-09-27 | — | — | US | disclosed |
| EP-2258996-B1 | METHOD FOR SEPARATING BLAST FURNACE GAS | JFE STEEL CORP (JP) | 2016-04-27 | — | — | EP | disclosed |
| CN-103408544-A | Fibrauretine preparation method | UNIV JIAOTONG SOUTHWEST | 2013-11-27 | — | — | CN | disclosed |
| CN-101978234-A | Separation method for blast furnace gas | JFE STEEL CORP | 2011-02-16 | — | — | CN | disclosed |
| EP-2258996-A1 | METHOD FOR SEPARATING BLAST FURNACE GAS | JFE Steel Corporation (JP) | 2010-12-08 | — | — | EP | 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-20180273543-A1 | METHOD FOR PRODUCING LAMELLARIN AND DERIVATIVE THEREOF | LIPA, PLIN5, PLIN3 | ACHE 3037/4885TSHR 4850/4885LMNA 204/4885 |
“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.