Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | TP53 | P04637 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | DNM1 | Q05193 | 6/20 | 0.55 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
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 SCHEMBL5210472 | 0.98 | SLC22A1 (0.56) | SMN1; SMN2TP53ALDH1A1CYP3A4HIF1A | |
| Toluene SCHEMBL29111168 | 0.96 | SLC22A1 (0.54) | SMN1; SMN2TP53ALDH1A1CYP3A4HIF1A | |
| Tetrabuthylammonium SCHEMBL1724097 | 0.94 | SLC22A1 (0.52) | SMN1; SMN2TP53ALDH1A1CYP3A4HIF1A | |
| Tetrabuthylammonium SCHEMBL11246970 | 0.91 | SLC22A1 (0.55) | SMN1; SMN2TP53ALDH1A1CYP3A4HIF1A | |
| Tetrabuthylammonium SCHEMBL28869272 | 0.89 | SLC22A1 (0.52) | SMN1; SMN2TP53ALDH1A1CYP3A4HIF1A | |
| Tetrabuthylammonium SCHEMBL15453961 | 0.89 | SLC22A1 (0.52) | SMN1; SMN2TP53ALDH1A1CYP3A4HIF1A | |
| Decane SCHEMBL27778817 | 0.89 | LMNA (0.58) | SMN1; SMN2TP53ALDH1A1CYP3A4HIF1A | |
| Heptane SCHEMBL27684378 | 0.89 | LMNA (0.58) | SMN1; SMN2TP53ALDH1A1CYP3A4HIF1A | |
| Dodecane SCHEMBL28292270 | 0.89 | LMNA (0.58) | SMN1; SMN2TP53ALDH1A1CYP3A4HIF1A | |
| Toluene SCHEMBL28362966 | 0.88 | DNM1 (0.66) | SMN1; SMN2TP53ALDH1A1CYP3A4HIF1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110148746-B | Graphene nanosheet composite material, and manufacturing method and application thereof | 广州墨羲科技有限公司 | 2021-07-27 | — | — | CN | disclosed |
| US-20030107024-A1 | METHOD FOR INCORPORATING METAL NANOPARTICLES IN POROUS MATERIALS | NATIONAL INST. OF ADVANCED IND. SCIENCE AND TECH. (JP) | 2003-06-12 | — | — | US | disclosed |
| US-6569358-B1 | Method for incorporating metal nanoparticles in porous materials | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2003-05-27 | — | — | US | disclosed |