Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL812105 | 0.94 | CYP11B1 (0.33) | LMNATSHRALOX12ACHECYP19A1 | |
| Fluoride Ion SCHEMBL27619061 | 0.90 | LMNA (0.31) | LMNATSHRALOX12ACHE | |
| Bromide SCHEMBL7203730 | 0.90 | HTR2A (0.33) | LMNATSHRALOX12ACHE | |
| Iodide SCHEMBL27948761 | 0.90 | LMNA (0.31) | LMNATSHRALOX12ACHE | |
| Hydrochloric Acid SCHEMBL27473043 | 0.89 | CYP19A1 (0.30) | CYP19A1CYP11B1CYP11B2 | |
| Toluene SCHEMBL7806717 | 0.76 | LMNA (0.41) | LMNATSHRALOX12ACHE | |
| Hydrochloric Acid SCHEMBL7705066 | 0.75 | GAA (0.33) | LMNAALOX12 | |
| Hydrochloric Acid SCHEMBL4094393 | 0.75 | MAOA (0.33) | — | |
| Hydrochloric Acid SCHEMBL28994366 | 0.74 | ACHE (0.32) | ACHE | |
| Hydrochloric Acid SCHEMBL5616577 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106674497-A | Modified polyethylene glycol terephthalate and preparation method thereof | 中国石油化工股份有限公司 | 2017-05-17 | — | — | CN | disclosed |
| CN-106674500-A | Modified polyethylene glycol terephthalate and preparation method thereof | 中国石油化工股份有限公司 | 2017-05-17 | — | — | CN | disclosed |