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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
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 SCHEMBL6514880 | 1.00 | TSHR (0.48) | TSHRLMNAALOX12ACHENAPRT | |
| Toluene SCHEMBL27659900 | 0.94 | LMNA (0.46) | TSHRLMNAALOX12ACHENAPRT | |
| Toluene SCHEMBL27713635 | 0.92 | TSHR (0.44) | TSHRLMNAALOX12ACHENAPRT | |
| Toluene SCHEMBL2178387 | 0.89 | LMNA (0.61) | TSHRLMNAALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL29249545 | 0.88 | SMN1; SMN2 (0.59) | TSHRLMNAALOX12ACHENAPRT | |
| Toluene SCHEMBL27551962 | 0.87 | TSHR (0.48) | TSHRLMNAALOX12ACHENAPRT | |
| Toluene SCHEMBL22071089 | 0.87 | ALDH1A1 (0.55) | TSHRLMNANAPRTSMN1; SMN2TDP1 | |
| Toluene SCHEMBL16986055 | 0.86 | PTGS1 (0.37) | TSHRLMNAALOX12ACHETDP1 | |
| Toluene SCHEMBL248686 | 0.86 | LMNA (0.65) | TSHRLMNAALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL11123126 | 0.86 | LMNA (0.65) | TSHRLMNAALOX12ACHESMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8367622-B2 | Sulfated C-glycoside, method for isolating same and method for synthesizing same | SHIZUOKA PREFECTURE PUBLIC UNIVERSITY CORPORATION (JP) | 2013-02-05 | — | — | US | disclosed |
| US-20120029183-A1 | SULFATED C-GLYCOSIDE, METHOD FOR ISOLATING SAME AND METHOD FOR SYNTHESIZING SAME | SHIZUOKA PREFECTURE PUBLIC UNIVERSITY CORPORATION (JP) | 2012-02-02 | — | — | US | disclosed |
| EP-2385049-A1 | SULFATED C-GLYCOSIDE, METHOD FOR ISOLATING SAME AND METHOD FOR SYNTHESIZING SAME | Shizuoka Prefecture Public University Corporation (JP) | 2011-11-09 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120029183-A1 | SULFATED C-GLYCOSIDE, METHOD FOR ISOLATING SAME AND METHOD FOR SYNTHESIZING SAME | ADH1C, ADH1A, CYP21A2 | TSHR 1373/4885LMNA 4345/4885ALOX12 2364/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.