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 | |
|---|---|---|---|---|
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.46 |
| ▸ | MC4R known ✓ | P32245 | 1/20 | 0.41 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 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 SCHEMBL2022367 | 0.96 | LMNA (0.48) | LMNATSHRALOX12ACHEALDH1A1 | |
| Toluene SCHEMBL27471760 | 0.89 | LMNA (0.46) | LMNATSHRALOX12ACHEALDH1A1 | |
| Toluene SCHEMBL5725705 | 0.89 | TSHR (0.55) | LMNATSHRALOX12ACHEALDH1A1 | |
| Toluene SCHEMBL434566 | 0.89 | TSHR (0.61) | LMNATSHRALOX12ACHEALDH1A1 | |
| Toluene SCHEMBL2960642 | 0.87 | ALDH1A1 (0.50) | LMNATSHRALDH1A1KDM4EMEN1 | |
| Toluene SCHEMBL6659437 | 0.86 | LMNA (0.52) | LMNATSHRALOX12ACHEALDH1A1 | |
| Toluene SCHEMBL4266725 | 0.86 | TSHR (0.58) | LMNATSHRALOX12ACHEALDH1A1 | |
| Toluene SCHEMBL3278606 | 0.86 | LMNA (0.58) | LMNATSHRALOX12ACHEALDH1A1 | |
| Toluene SCHEMBL28280046 | 0.86 | TSHR (0.58) | LMNATSHRALOX12ACHEALDH1A1 | |
| Toluene SCHEMBL5178478 | 0.85 | ALDH1A1 (0.48) | LMNATSHRALDH1A1KDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003104304-A1 | METHOD FOR MAKING SILOXANE POLYMERS | THE AUSTRALIAN NATIONAL UNIVERSITY (AU) | 2003-12-18 | — | — | WO | disclosed |
| US-20030232951-A1 | Preparation of low loss optical material from difunctional silyl enol ethers and difunctional silanols | AUSTRALIAN NATIONAL UNIVERSITY, THE (AU) | 2003-12-18 | — | — | US | 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-20030232951-A1 | Preparation of low loss optical material from difunctional silyl enol ethers and difunctional silanols | CNKSR1, CCNL2, SAAL1 | AGTR1 694/4885MC4R 4836/4885SCN5A 4701/4885 |
“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.