Known targets — ChEMBL curated mechanism
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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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 6/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | CRHBP | P24387 | 2/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 SCHEMBL19133579 | 0.96 | LMNA (0.50) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL19133582 | 0.94 | LMNA (0.48) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL28230691 | 0.89 | LMNA (0.58) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL21715053 | 0.85 | LMNA (0.39) | LMNATSHRALOX12ACHEALDH1A1 | |
| Toluene SCHEMBL1573659 | 0.84 | LMNA (0.65) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL10900065 | 0.84 | LMNA (0.65) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL10611921 | 0.84 | LMNA (0.65) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL4458162 | 0.84 | LMNA (0.65) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL28323246 | 0.84 | LMNA (0.65) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL28285532 | 0.84 | LMNA (0.42) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4506368-A | PHOTOSTABILITY | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1985-03-19 | — | — | US | disclosed |