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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.40 |
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 SCHEMBL5725705 | 0.93 | TSHR (0.55) | LMNATSHRALOX12ACHECHRM2 | |
| Toluene SCHEMBL434566 | 0.93 | TSHR (0.61) | LMNATSHRALOX12ACHECHRM2 | |
| Toluene SCHEMBL4266725 | 0.90 | TSHR (0.58) | LMNATSHRALOX12ACHECHRM2 | |
| Toluene SCHEMBL28280046 | 0.90 | TSHR (0.58) | LMNATSHRALOX12ACHECHRM2 | |
| Toluene SCHEMBL3278606 | 0.90 | LMNA (0.58) | LMNATSHRALOX12ACHECHRM2 | |
| Toluene SCHEMBL5198578 | 0.87 | ACHE (0.69) | LMNATSHRALOX12ACHEMEN1 | |
| Toluene SCHEMBL22729215 | 0.87 | ACHE (0.69) | LMNATSHRALOX12ACHEMEN1 | |
| Toluene SCHEMBL5199381 | 0.87 | ACHE (0.69) | LMNATSHRALOX12ACHEMEN1 | |
| Toluene SCHEMBL28769535 | 0.87 | ACHE (0.69) | LMNATSHRALOX12ACHEMEN1 | |
| Toluene SCHEMBL27342895 | 0.87 | ACHE (0.69) | LMNATSHRALOX12ACHEMEN1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1030856-B1 | ADENOSINE A1 RECEPTOR AGONISTS | GLAXO GROUP LTD (GB) | 2004-08-18 | — | — | EP | disclosed |
| US-6740644-B2 | ADENOSINE DERIVATIVES, AGONISTS AT THE ADENOSINE A1 RECEPTOR | SMITHKLINE BEECHAM CORPORATION | 2004-05-25 | — | — | US | disclosed |
| US-20030158146-A1 | Chemical compounds | SMITHKLINE BEECHAM CORPORATION (US) | 2003-08-21 | — | — | US | disclosed |
| US-6544960-B1 | Chemical compounds | SMITHKLINE BEECHAM CORPORATION | 2003-04-08 | — | — | US | disclosed |
| US-6407076-B1 | ANTIISCHEMIC, ANTILIPOLYTIC, ANTICONVULSANT AND HYPOTENSIVE AGENTS; CARDIOVASCULAR AND NERVOUS SYSTEM DISORDERS; ATHEROSCLEROSIS | SMITHKLINE BEECHAM CORPORATION | 2002-06-18 | — | — | US | disclosed |
| EP-1027363-A2 | ADENOSINE A1-RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2000-08-16 | — | — | EP | disclosed |
| US-6069160-A | Heteroatom-containing benzocyclopentane-oxazolidinones | BAYER AKTIENGESELLSCHAFT (DE) | 2000-05-30 | — | — | US | disclosed |
| WO-1999024450-A2 | ADENSINE A1 RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 1999-05-20 | — | — | WO | disclosed |
| EP-0317206-B1 | PHENETHANOLAMINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1993-04-28 | — | — | EP | disclosed |
| EP-0460924-A1 | Dichloroaniline compound | GLAXO GROUP LIMITED (GB) | 1991-12-11 | — | — | EP | disclosed |
| EP-0253257-B1 | SUBSTITUTED AMINO-5,6,7,8-TETRAHYDRONAPHTHYL-OXYACETIC ACIDS, METHOD FOR THEIR PREPARATION AND THEIR APPLICATION AS MEDICAMENTS | BAYER AG (DE) | 1990-11-14 | — | — | EP | disclosed |
| US-4921867-A | Pyridine compounds useful for therapy or prophylaxis of a disease associated with airway obstruction | GLAXO GROUP LIMITED (GB) | 1990-05-01 | — | — | US | disclosed |
| US-4868331-A | ANTICOAGULANTS, ANTIATHEROSCLEROTIC, ANTIISCHEMIC | BAYER AKTIENGESELLSCHAFT (DE) | 1989-09-19 | — | — | US | disclosed |
| EP-0317206-A2 | Phenethanolamine derivatives | GLAXO GROUP LIMITED (GB) | 1989-05-24 | — | — | EP | disclosed |
| EP-0278728-A2 | 1-(4-Amino-3,5-dichlorophenyl)-2-(substituted amino)ethanol derivatives and their use in the treatment of respiratory disease | GLAXO GROUP LIMITED (GB) | 1988-08-17 | — | — | 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-20030158146-A1 | Chemical compounds | CNR1, ADORA3, ADORA1 | LMNA 1359/4885TSHR 253/4885ALOX12 1119/4885 |
“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.