Known targets — ChEMBL curated mechanism
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 | P22303 | 3/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.65 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.44 |
| ▸ | HTR2C | P28335 | 5/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.42 |
| ▸ | HTR3A | P46098 | 2/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B | O95264 | 1/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.42 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 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 SCHEMBL11325202 | 1.00 | ACHE (0.65) | ACHELMNATSHRALOX12ADRB1 | |
| Toluene SCHEMBL1115294 | 0.89 | LMNA (0.58) | ACHELMNATSHRALOX12ADRB1 | |
| Toluene SCHEMBL27846434 | 0.88 | ACHE (0.65) | ACHELMNATSHRALOX12ADRB1 | |
| Toluene SCHEMBL2949186 | 0.87 | LMNA (0.55) | ACHELMNATSHRALOX12ADRB1 | |
| Toluene SCHEMBL6961806 | 0.86 | TSHR (0.48) | ACHELMNATSHRALOX12OPRM1 | |
| Toluene SCHEMBL28140340 | 0.86 | LMNA (0.48) | ACHELMNATSHRALOX12ADRB1 | |
| Toluene SCHEMBL28089386 | 0.86 | ACHE (0.61) | ACHELMNATSHRALOX12ADRB1 | |
| Toluene SCHEMBL29087109 | 0.85 | LMNA (0.52) | ACHELMNATSHRALOX12ADRB1 | |
| P-Xylene SCHEMBL9289096 | 0.84 | ACHE (0.57) | ACHELMNATSHRALOX12ADRB1 | |
| Toluene SCHEMBL11313266 | 0.84 | ACHE (0.92) | ACHELMNATSHRALOX12HPGD |
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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106589838-A | ATF oil resistant flame retardant type impregnated resin as well as preparation method and application thereof | 苏州巨峰电气绝缘系统股份有限公司 | 2017-04-26 | — | — | CN | claimed |
| CN-101686952-A | Novel agents of calcium ion channel modulators | VM DISCOVERY INC | 2010-03-31 | — | — | CN | claimed |
| CN-1195409-C | Plant protection agents | STEFES AGRO GMBH (DE) | 2005-04-06 | — | — | CN | claimed |
| CN-1252688-A | Plant protection agents | STEFES AGRO GMBH (DE) | 2000-05-10 | — | — | CN | claimed |
| CN-1141036-A | 1,3-Oxazin-4-one derivatives, process and intermediates for their preparation and their use as herbicides | RHONE POULENC AGROCHIMIE CORP (FR) | 1997-01-22 | — | — | CN | claimed |
| CN-1060760-A | Synergistic herbicidal agents | HOECHST AG (DE) | 1992-05-06 | — | — | CN | claimed |
| CN-108097309-A | A kind of CO2With the effective catalyst of propylene oxide synthesizing acrylic ester and preparation method thereof | 中国石油化工股份有限公司 | 2018-06-01 | — | — | CN | disclosed |
| CN-102149371-B | Chelating amphiphilic polymers | 皇家飞利浦电子股份有限公司 | 2017-04-19 | — | — | CN | disclosed |
| CN-101686952-A | Novel agents of calcium ion channel modulators | VM DISCOVERY INC | 2010-03-31 | — | — | CN | disclosed |
| WO-2007102167-A1 | A PROCESS FOR THE PREPARATION OF ANHYDROUS POLYMORPHIC FORM OF OLANZAPINE | LEE PHARMA LIMITED (IN) | 2007-09-13 | — | — | WO | disclosed |
| WO-2007096895-A1 | PREPARATION OF ANHYDROUS OLANZAPINE OF FORM-1 | LEE PHARMA LIMITED (IN) | 2007-08-30 | — | — | WO | disclosed |
| CN-1232505-C | Substituted sulfonamido (thio) carbonyl compounds | BAYER AG (DE) | 2005-12-21 | — | — | CN | disclosed |
| CN-1195409-C | Plant protection agents | STEFES AGRO GMBH (DE) | 2005-04-06 | — | — | CN | disclosed |
| CN-1087631-A | Novel phenylsulfonyl ureas, process for their preparation and their use as herbicides and plant growth regulators | HOECHST AG (DE) | 1994-06-08 | — | — | CN | disclosed |
| CN-1060760-A | Synergistic herbicidal agents | HOECHST AG (DE) | 1992-05-06 | — | — | CN | disclosed |
| CN-1050873-A | The alkylsulfonyl guanylhydrazones that replaces | BAYER AG (DE) | 1991-04-24 | — | — | CN | disclosed |
| CN-1042907-A | Herbicidal composition | ICI PLC (GB) | 1990-06-13 | — | — | CN | disclosed |
| CN-87100159-A | The application of film regulatory factor and contain the product of this film regulatory factor | — | 1987-09-16 | — | — | CN | disclosed |
| US-4427793-A | ION EXCHANGE RESIN BEADS, ADSORBERS | ROHM AND HAAS COMPANY (US) | 1984-01-24 | — | — | US | disclosed |
| US-4384095-A | ADSORBERS, GELS | ROHM AND HAAS COMPANY (US) | 1983-05-17 | — | — | US | disclosed |