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 known ✓ | P22303 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
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 SCHEMBL27501407 | 0.98 | LMNA (0.50) | TSHRLMNAALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL10790791 | 0.86 | LMNA (0.52) | TSHRLMNAALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL27598259 | 0.86 | TSHR (0.52) | TSHRLMNAALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL11606666 | 0.85 | TSHR (0.58) | TSHRLMNAALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL248686 | 0.85 | LMNA (0.65) | TSHRLMNAALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL11123126 | 0.85 | LMNA (0.65) | TSHRLMNAALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL9093263 | 0.84 | TSHR (0.50) | TSHRLMNAALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL28199551 | 0.84 | LMNA (0.50) | TSHRLMNAALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL28099821 | 0.84 | TSHR (0.50) | TSHRLMNAALOX12ACHESMN1; SMN2 | |
| Sulfuric Acid Dimethyl Ester SCHEMBL28658884 | 0.83 | ALOX12 (0.55) | TSHRLMNAALOX12ACHESMN1; SMN2 |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104136481-A | low temperature curable epoxy resin system | DOW GLOBAL TECHNOLOGIES INC | 2014-11-05 | — | — | CN | claimed |
| EP-2880142-B1 | RANDOM INTRAESTERIFICATION | ADVANTA INT BV (NL) | 2018-04-11 | — | — | EP | disclosed |
| US-9877917-B2 | Liposome formulation suitable for treating or preventing tuberculosis | ARCHIVEL FARMA, S.L. (ES) | 2018-01-30 | — | — | US | disclosed |
| US-20150166932-A1 | RANDOM INTRAESTERIFICATION | ADVANTA INTERNATIONAL BV (NL) | 2015-06-18 | — | — | US | disclosed |
| EP-2880142-A1 | RANDOM INTRAESTERIFICATION | Advanta International BV (NL) | 2015-06-10 | — | — | EP | disclosed |
| CN-104136481-A | low temperature curable epoxy resin system | DOW GLOBAL TECHNOLOGIES INC | 2014-11-05 | — | — | CN | disclosed |
| WO-2014016245-A1 | RANDOM INTRAESTERIFICATION | ADVANTA INTERNATIONAL BV (NL) | 2014-01-30 | — | — | WO | disclosed |
| EP-2177604-A1 | Methods for identifying potential CYP4 metabolites, inhibitors or prodrugs | PomBio Tech GmbH (DE) | 2010-04-21 | — | — | EP | disclosed |
| WO-2010040770-A2 | METHODS FOR IDENTIFYING POTENTIAL CYP4Z1 METABOLITES, INHIBITORS OR PRODRUGS | POMBIO TECH GMBH (DE) | 2010-04-15 | — | — | WO | disclosed |
| US-20020051964-A1 | Male fertility with (n-3) polyunsaturated fatty acids | SURAI PETER (GB) | 2002-05-02 | — | — | US | disclosed |
| EP-0914112-A1 | IMPROVEMENT OF MALE FERTILITY WITH ANTIOXIDANTS AND/OR POLYUNSATURATED FATTY ACIDS | THE SCOTTISH AGRICULTURAL COLLEGE (GB) | 1999-05-12 | — | — | EP | disclosed |
| US-5858370-A | ADMINISTERING A MIXTURE OF PLANT EXTRACT OILS TO HUMAN BODY TO PROVIDE A PHYSIOLOGICAL EFFECT, PREVENTION OR MITIGATION OF DELETERIOUS CHANGES IN NERVOUS TISSUE, ELEVATION OF PROTEIN LEVELS, AND RETINAL DEGENERATION | SCOTTISH AGRICULTURAL COLLEGE (GB) | 1999-01-12 | — | — | US | disclosed |
| WO-1998000125-A1 | IMPROVEMENT OF MALE FERTILITY WITH ANTIOXIDANTS AND/OR POLYUNSATURATED FATTY ACIDS | THE SCOTTISH AGRICULTURAL COLLEGE (GB) | 1998-01-08 | — | — | WO | disclosed |
| EP-0716608-A1 | BENEFICIAL EFFECTS OF PLANT VOLATILE OILS | The Scottish Agricultural College (GB) | 1996-06-19 | — | — | EP | disclosed |
| EP-0410976-A4 | HEAT STABLE QUATERNIZED LACTAMS HAVING OXYLATED SULFUR ANIONS | — | 1991-10-16 | — | — | EP | disclosed |
| EP-0410976-A1 | HEAT STABLE QUATERNIZED LACTAMS HAVING OXYLATED SULFUR ANIONS | GAF CHEMICALS CORPORATION (US) | 1991-02-06 | — | — | EP | disclosed |
| US-4957731-A | CONDITIONERS, QUATERNIZED LACTAMS | GAF CHEMICALS CORPORATION (US) | 1990-09-18 | — | — | US | disclosed |
| US-4885158-A | Heat stable quaternized lactams having oxylated sulfur anions | GAF CORPORATION (US) | 1989-12-05 | — | — | US | disclosed |
| WO-1989010115-A1 | HAIR PROCESSING ADDITIVES | GAF CHEMICALS CORPORATION (US) | 1989-11-02 | — | — | WO | disclosed |
| WO-1989010358-A1 | HEAT STABLE QUATERNIZED LACTAMS HAVING OXYLATED SULFUR ANIONS | GAF CHEMICALS CORPORATION (US) | 1989-11-02 | — | — | WO | disclosed |