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 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
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 SCHEMBL3411689 | 0.98 | TSHR (0.52) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL3670161 | 0.85 | LMNA (0.61) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL2904564 | 0.85 | LMNA (0.61) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL27598259 | 0.84 | TSHR (0.52) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL10790791 | 0.84 | LMNA (0.52) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL11606666 | 0.83 | TSHR (0.58) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL11123126 | 0.83 | LMNA (0.65) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL248686 | 0.83 | LMNA (0.65) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Benzene SCHEMBL28436183 | 0.83 | TSHR (0.39) | TSHRSMN1; SMN2CA1CA2TDP1 | |
| Toluene SCHEMBL9093263 | 0.82 | TSHR (0.50) | LMNATSHRALOX12ACHESMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101917963-B | Preparation of cationic terpolymers and personal care compositions | CIBA HOLDING INC | 2013-06-19 | — | — | CN | disclosed |
| CN-101043871-B | Stabilized body care products, household articles, textiles and fabrics | CIBA SPEC CHEM CORP | 2012-05-30 | — | — | CN | disclosed |
| CN-102014856-A | Body care and household products and compositions comprising specific sulfur-containing compounds | BASF SE | 2011-04-13 | — | — | CN | disclosed |
| CN-101917963-A | Preparation of cationic terpolymers and personal care compositions | CIBA HOLDING INC | 2010-12-15 | — | — | CN | disclosed |
| CN-100379724-C | Inhibition of pulp and paper yellowing using nitroxides and other coadditives | CIBA SC HOLDING AG (CH) | 2008-04-09 | — | — | CN | disclosed |
| CN-101043871-A | Stabilized body care products, household articles, textiles and fabrics | CIBA SC HOLDING AG (CH) | 2007-09-26 | — | — | CN | disclosed |
| CN-1143861-C | Silanyl-triazines as light screening compositions | - | 2004-03-31 | — | — | CN | disclosed |
| CN-1270580-A | Inhibition of pulp and paper yellowing using nitroxides and other coadditives | CIBA SC HOLDING AG (CH) | 2000-10-18 | — | — | CN | disclosed |
| CN-1227843-A | Silanyl-triazines as light screening compositions | HOFFMANN LA ROCHE (CH) | 1999-09-08 | — | — | CN | disclosed |