Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | CRHBP | P24387 | 2/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 SCHEMBL19133582 | 0.98 | LMNA (0.48) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL10989967 | 0.96 | LMNA (0.46) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL21715053 | 0.89 | LMNA (0.39) | LMNATSHRALOX12ACHEALDH1A1 | |
| Toluene SCHEMBL28323246 | 0.88 | LMNA (0.65) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL1573659 | 0.88 | LMNA (0.65) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL10900065 | 0.88 | LMNA (0.65) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL4458162 | 0.88 | LMNA (0.65) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL10611921 | 0.88 | LMNA (0.65) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL11479355 | 0.85 | LMNA (0.61) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL5199381 | 0.85 | ACHE (0.69) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170283378-A1 | INDOLE DERIVATIVES FOR THE PREVENTION AND/OR TREATMENT OF DIABETES AND ASSOCIATED METABOLIC DISORDERS | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) | 2017-10-05 | — | — | US | disclosed |
| EP-3196190-A1 | INDOLE DERIVATIVES FOR THE PREVENTION AND/OR TREATMENT OF DIABETES AND ASSOCIATED METABOLIC DISORDERS | Consejo Superior de Investigaciones Cientificas (CSIC) (ES) | 2017-07-26 | — | — | 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-20170283378-A1 | INDOLE DERIVATIVES FOR THE PREVENTION AND/OR TREATMENT OF DIABETES AND ASSOCIATED METABOLIC DISORDERS | GPR119, AK2, AADAT | LMNA 3980/4885TSHR 1088/4885ALOX12 738/4885 |
“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.