Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | O15379 | 2/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.54 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 SCHEMBL585499 | 0.96 | HDAC3 (0.59) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| Toluene SCHEMBL3080065 | 0.94 | HDAC3 (0.56) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| Toluene SCHEMBL4678985 | 0.94 | HDAC3 (0.56) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| Toluene SCHEMBL13583770 | 0.92 | HDAC3 (0.54) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| Toluene SCHEMBL9192760 | 0.92 | HDAC3 (0.54) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| Toluene SCHEMBL27302377 | 0.90 | FFAR3 (0.52) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| Toluene SCHEMBL6287569 | 0.90 | FFAR3 (0.52) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| Toluene SCHEMBL9784657 | 0.88 | FFAR3 (0.50) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| Toluene SCHEMBL11115673 | 0.88 | FFAR3 (0.50) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| P-Xylene SCHEMBL28135735 | 0.87 | FFAR3 (0.65) | HDAC3HDAC1HDAC2HDAC8FFAR3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140193454-A1 | METHOD FROM PREPARING CERIPORIA LACERATA CULTURE EXTRACT AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF DIABETES AND DIABETIC COMPLICATIONS COMPRISING CERIPORIA LACERATA CULTURE EXTRACT AS ACTIVE INGREDIENT | FUGENBIO CO., LTD. (KR) | 2014-07-10 | — | — | US | disclosed |
| US-7595055-B2 | Pharmaceutical composition comprising an extract or compounds isolated from Elfvingia applanata for the prevention and the treatment of diabetes and diabetic complications | Son, Dal-Hoon (CA) | 2009-09-29 | — | — | US | disclosed |
| US-20070224213-A1 | Pharmaceutical Composition Comprising an Extract or Compounds Isolated from Elfvingia Applanata for the Prevention and the Treatment of Diabetes and Diabetic Complications | SON, DAL-HOON (CA) | 2007-09-27 | — | — | US | disclosed |
| US-20070148437-A1 | Thermosensitive, biocompatible polymer carriers with changeable physical structure for therapy, diagnostics and analytics | MAGNAMEDICS GMBH (DE) | 2007-06-28 | — | — | US | disclosed |
| WO-2004067009-A1 | PHARMACEUTICAL COMPOSITION COMPRISING AN EXTRACT OR COMPOUNDS ISOLATED FROM ELFVINGIA APPLANATA FOR THE PREVENTION AND THE TREATMENT OF DIABETES AND DIABETIC COMPLICATIONS | SON DAL-HOON (CA) | 2004-08-12 | — | — | WO | 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 (2 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-20140193454-A1 | METHOD FROM PREPARING CERIPORIA LACERATA CULTURE EXTRACT AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF DIABETES AND DIABETIC COMPLICATIONS COMPRISING CERIPORIA LACERATA CULTURE EXTRACT AS ACTIVE INGREDIENT | CMA1, CHIA, CHIT1 | HDAC3 335/4885HDAC1 647/4885HDAC2 287/4885 |
| US-20070224213-A1 | Pharmaceutical Composition Comprising an Extract or Compounds Isolated from Elfvingia Applanata for the Prevention and the Treatment of Diabetes and Diabetic Complications | DPP7, DPP4, ELF3 | HDAC3 1288/4885HDAC1 715/4885HDAC2 568/4885 |
“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.