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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 SCHEMBL48134 | 0.87 | LMNA (0.73) | LMNATSHRALOX12ACHERAB9A | |
| Toluene SCHEMBL2914390 | 0.87 | LMNA (0.73) | LMNATSHRALOX12ACHERAB9A | |
| Toluene SCHEMBL7355317 | 0.87 | LMNA (0.73) | LMNATSHRALOX12ACHERAB9A | |
| Toluene SCHEMBL27369787 | 0.87 | LMNA (0.73) | LMNATSHRALOX12ACHERAB9A | |
| Toluene SCHEMBL5665635 | 0.85 | LMNA (0.55) | LMNATSHRALOX12ACHERAB9A | |
| Toluene SCHEMBL34952 | 0.85 | LMNA (0.55) | LMNATSHRALOX12ACHERAB9A | |
| Toluene SCHEMBL5082155 | 0.84 | LMNA (0.69) | LMNATSHRALOX12ACHERAB9A | |
| Toluene SCHEMBL3032586 | 0.84 | LMNA (0.69) | LMNATSHRALOX12ACHERAB9A | |
| Toluene SCHEMBL7092275 | 0.84 | LMNA (0.69) | LMNATSHRALOX12ACHERAB9A | |
| Toluene SCHEMBL7096668 | 0.84 | LMNA (0.69) | LMNATSHRALOX12ACHERAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102245566-A | Process for the production of aromatic urethanes | DOW GLOBAL TECHNOLOGIES INC | 2011-11-16 | — | — | CN | disclosed |