Known targets — ChEMBL curated mechanism
CHRM1DRD2DRD3DRD4HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR2APDE3ASIGMAR1
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 | |
|---|---|---|---|---|
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 known ✓ | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 known ✓ | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 known ✓ | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 known ✓ | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 known ✓ | Q9UQL6 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
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 SCHEMBL25341486 | 0.98 | LMNA (0.52) | LMNATP53TSHRALOX12ACHE | |
| Toluene SCHEMBL27819683 | 0.87 | LMNA (0.58) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL27527983 | 0.87 | LMNA (0.58) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL27517251 | 0.85 | LMNA (0.55) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL6867152 | 0.85 | LMNA (0.55) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL27885366 | 0.85 | LMNA (0.55) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL9203170 | 0.85 | LMNA (0.55) | LMNATSHRALOX12ACHECES2 | |
| Cadaverine Tartrate SCHEMBL9732307 | 0.85 | LMNA (0.55) | LMNATSHRALOX12ACHECES2 | |
| Cadaverine Tartrate SCHEMBL18586007 | 0.85 | LMNA (0.55) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL27310391 | 0.85 | LMNA (0.55) | LMNATSHRALOX12ACHECES2 |
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-115926405-A | Ultrathin high-strength biodegradable film and preparation method thereof | 前沿生物材料科技(兴安盟)有限公司 | 2023-04-07 | — | — | CN | claimed |
| CN-115926405-A | Ultrathin high-strength biodegradable film and preparation method thereof | 前沿生物材料科技(兴安盟)有限公司 | 2023-04-07 | — | — | CN | disclosed |
| US-5603926-A | CONTAINS A (METH)ACRYLIC MONOMER HAVING AN AMINO GROUP | OSAKA YUKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1997-02-18 | — | — | US | disclosed |