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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.61 |
| ▸ | ACHE | P22303 | 1/20 | 0.61 |
| ▸ | CES2 | O00748 | 2/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 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 SCHEMBL7095161 | 0.92 | LMNA (0.58) | TSHRLMNAALOX12ACHECES2 | |
| Toluene SCHEMBL48134 | 0.91 | LMNA (0.73) | TSHRLMNAALOX12ACHECES2 | |
| Toluene SCHEMBL2914390 | 0.91 | LMNA (0.73) | TSHRLMNAALOX12ACHECES2 | |
| Toluene SCHEMBL27369787 | 0.91 | LMNA (0.73) | TSHRLMNAALOX12ACHECES2 | |
| Toluene SCHEMBL7355317 | 0.91 | LMNA (0.73) | TSHRLMNAALOX12ACHECES2 | |
| Toluene SCHEMBL5082155 | 0.88 | LMNA (0.69) | TSHRLMNAALOX12ACHECES2 | |
| Toluene SCHEMBL3032586 | 0.88 | LMNA (0.69) | TSHRLMNAALOX12ACHECES2 | |
| Toluene SCHEMBL7096668 | 0.88 | LMNA (0.69) | TSHRLMNAALOX12ACHECES2 | |
| Toluene SCHEMBL7092275 | 0.88 | LMNA (0.69) | TSHRLMNAALOX12ACHECES2 | |
| Toluene SCHEMBL27700453 | 0.88 | LMNA (0.69) | TSHRLMNAALOX12ACHECES2 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6586135-B2 | Dicarbonate compound such as dibenzyl dicarbonate mixed with either the anode material or the cathode active material prior to contact with its current collector | WILSON GREATBACH LTD. | 2003-07-01 | — | — | US | claimed |
| EP-0951085-B1 | Dicarbonate additives for non-aqueous electrolyte in alkali metal electrochemical cells | GREATBATCH W LTD (US) | 2003-01-29 | — | — | EP | claimed |
| US-20020136949-A1 | Electrochemical cell having an electrode with a dicarbonate additive in the electrode active mixture | GREATBATCH, INC. | 2002-09-26 | — | — | US | claimed |
| EP-1244159-A1 | Electrochemical cell having an electrode with a dicarbonate additive in the electrode active mixture | WILSON GREATBATCH LTD. (US) | 2002-09-25 | — | — | EP | claimed |
| US-6174629-B1 | ADDITION OF AT LEAST ONE DICARBONATE ADDITIVE TO AN ELECTROLYTE COMPRISING AN ALKALI METAL SALT DISSOLVED IN A SOLVENT MIXTURE THAT INCLUDES ETHYLENE CARBONATE, DIMETHYL CARBONATE, ETHYL METHYL CARBONATE AND DIETHYL CARBONATE | WILSON GREATBATCH LTD. | 2001-01-16 | — | — | US | claimed |
| EP-1005098-A2 | Alkali metal electrochemical cell having an improved cathode activated with a nonaqueous electrolyte having a passivation inhibitor additive | WILSON GREATBATCH LTD. (US) | 2000-05-31 | — | — | EP | claimed |
| US-6063526-A | AN ALKALI METAL, SOLID CATHODE, NONAQUEOUS ELECTROCHEMICAL CELL CAPABLE OF DELIVERING HIGH CURRENT PULSES, RAPIDLY RECOVERING ITS OPEN CIRCUIT VOLTAGE AND HAVING HIGH CURRENT CAPACITY; USE IN MEDICAL DEVICES SUCH AS DEFIBRILLATORS | WILSON GREATBATCH LTD. (US) | 2000-05-16 | — | — | US | claimed |
| EP-0951085-A1 | Dicarbonate additives for non-aqueous electrolyte in alkali metal electrochemical cells | WILSON GREATBATCH LTD. (US) | 1999-10-20 | — | — | EP | claimed |
| US-6586135-B2 | Dicarbonate compound such as dibenzyl dicarbonate mixed with either the anode material or the cathode active material prior to contact with its current collector | WILSON GREATBACH LTD. | 2003-07-01 | — | — | US | disclosed |
| EP-0951085-B1 | Dicarbonate additives for non-aqueous electrolyte in alkali metal electrochemical cells | GREATBATCH W LTD (US) | 2003-01-29 | — | — | EP | disclosed |
| US-20020136949-A1 | Electrochemical cell having an electrode with a dicarbonate additive in the electrode active mixture | GREATBATCH, INC. | 2002-09-26 | — | — | US | disclosed |
| EP-1244159-A1 | Electrochemical cell having an electrode with a dicarbonate additive in the electrode active mixture | WILSON GREATBATCH LTD. (US) | 2002-09-25 | — | — | EP | disclosed |
| US-6221534-B1 | CATHODE IS INORGANIC REACTION PRODUCT CONTAINING VANADIUM OXIDE AND SILVER OXIDE | WILSON GREATBATCH LTD. | 2001-04-24 | — | — | US | disclosed |
| US-6174629-B1 | ADDITION OF AT LEAST ONE DICARBONATE ADDITIVE TO AN ELECTROLYTE COMPRISING AN ALKALI METAL SALT DISSOLVED IN A SOLVENT MIXTURE THAT INCLUDES ETHYLENE CARBONATE, DIMETHYL CARBONATE, ETHYL METHYL CARBONATE AND DIETHYL CARBONATE | WILSON GREATBATCH LTD. | 2001-01-16 | — | — | US | disclosed |
| EP-1005098-A2 | Alkali metal electrochemical cell having an improved cathode activated with a nonaqueous electrolyte having a passivation inhibitor additive | WILSON GREATBATCH LTD. (US) | 2000-05-31 | — | — | EP | disclosed |
| US-6063526-A | AN ALKALI METAL, SOLID CATHODE, NONAQUEOUS ELECTROCHEMICAL CELL CAPABLE OF DELIVERING HIGH CURRENT PULSES, RAPIDLY RECOVERING ITS OPEN CIRCUIT VOLTAGE AND HAVING HIGH CURRENT CAPACITY; USE IN MEDICAL DEVICES SUCH AS DEFIBRILLATORS | WILSON GREATBATCH LTD. (US) | 2000-05-16 | — | — | US | disclosed |
| EP-0951085-A1 | Dicarbonate additives for non-aqueous electrolyte in alkali metal electrochemical cells | WILSON GREATBATCH LTD. (US) | 1999-10-20 | — | — | EP | disclosed |