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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.65 |
| ▸ | ACHE | P22303 | 1/20 | 0.65 |
| ▸ | CES2 | O00748 | 3/20 | 0.54 |
| ▸ | CES1 | P23141 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
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 SCHEMBL4662740 | 0.97 | LMNA (0.69) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL9815765 | 0.97 | LMNA (0.69) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL1054834 | 0.97 | LMNA (0.69) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL10604374 | 0.97 | LMNA (0.69) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL9176449 | 0.97 | LMNA (0.69) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL10941235 | 0.97 | LMNA (0.69) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL9689391 | 0.97 | LMNA (0.69) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL19715122 | 0.97 | LMNA (0.69) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL5776784 | 0.97 | LMNA (0.69) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL10799413 | 0.97 | LMNA (0.69) | LMNATSHRALOX12ACHECES2 |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8003686-B2 | Aryl derivatives of curcumin, demethoxycurcumin, bisdemethoxycurcumin or curcuminisoxazolide and their use as animal feed additives | DSM IP ASSETS B.V. (NL) | 2011-08-23 | — | — | US | disclosed |
| EP-2356986-A1 | COMPOSITION FOR TREATMENT OF METABOLIC SYNDROME | Universitat Rovira I Virgili (ES) | 2011-08-17 | — | — | EP | disclosed |
| US-20100298347-A1 | SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY | MERCK FROSST CANADA LTD (CA) | 2010-11-25 | — | — | US | disclosed |
| EP-2229373-A1 | SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY | Merck Frosst Canada Ltd. (CA) | 2010-09-22 | — | — | EP | disclosed |
| US-20100010232-A1 | Aryl derivatives of curcumin, demethoxycurcumin, bisdemethoxycurcumin or curcuminisoxazolide and their use as animal feed additives | DSM IP ASSETS B.V. (NL) | 2010-01-14 | — | — | US | disclosed |
| WO-2009070873-A1 | SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY | MERCK FROSST CANADA LTD. (CA) | 2009-06-11 | — | — | WO | disclosed |
| US-6117885-A | Biphenyl-substituted quinoline derivatives | E. R. SQUIBB & SONS, INC. (US) | 2000-09-12 | — | — | US | disclosed |
| EP-0494419-B1 | Process for the preparation of 5-(2,4-difluorophenyl)-salicylic acid | ZAMBON SPA (IT) | 1995-12-06 | — | — | EP | disclosed |
| US-5466704-A | N-substituted imidazole and benzimidazole derivatives useful as angiotenson II antagonists | E. R. SQUIBB & SONS, INC. (US) | 1995-11-14 | — | — | US | disclosed |
| EP-0480708-B1 | Hydroxyalkylquinoline ether acids as leukotriene antagonists | MERCK FROSST CANADA INC (CA) | 1995-10-11 | — | — | EP | disclosed |
| EP-0480708-A2 | Hydroxyalkylquinoline ether acids as leukotriene antagonists | MERCK FROSST CANADA INC. (CA) | 1992-04-15 | — | — | EP | disclosed |
| US-4975493-A | MALEIC ANHHYDRIDE COPOLYMERS AND OXAZOLANES FOR LACQUERS AND COATINGS; SOLVENT AND CHEMICAL RESISTANCE; DISCOLORATION INHIBITION | BAYER AKTIENGESELLSCHAFT (DE) | 1990-12-04 | — | — | US | disclosed |
| EP-0200960-A1 | Total estriol fluorescence polarization immunoassay | ABBOTT LABORATORIES (US) | 1986-11-12 | — | — | EP | disclosed |
| EP-0027948-B1 | TETRAHYDRO-FLUORENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF | MERCK & CO. INC. (US) | 1984-03-21 | — | — | EP | disclosed |
| US-4356313-A | [(5,6,9a-substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acid esters and their analogs, the parent acids and their salts | MERCK & CO., INC. (US) | 1982-10-26 | — | — | US | disclosed |
| US-4356314-A | [5,6,9A-Substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acids, their analogs, esters, salts, and derivatives | MERCK & CO., INC. (US) | 1982-10-26 | — | — | US | disclosed |
| US-4337354-A | BRAIN AND SPINAL CHORD DAMAGE | MERCK & CO., INC. (US) | 1982-06-29 | — | — | US | disclosed |
| US-4317922-A | [(5,6,9a-Substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acids and their analogs, esters, salts and derivatives | MERCK & CO., INC. (US) | 1982-03-02 | — | — | US | disclosed |
| US-4316043-A | ANTIEDEMIC AGENTS | MERCK & CO., INC. (US) | 1982-02-16 | — | — | US | disclosed |
| EP-0027948-A1 | Tetrahydro-fluorene compounds, processes for their preparation and pharmaceutical compositions thereof | MERCK & CO. INC. (US) | 1981-05-06 | — | — | 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 (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-20100298347-A1 | SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY | GPR119, GPR52, GPR35 | LMNA 1391/4885TSHR 1963/4885ALOX12 417/4885 |
| US-20100010232-A1 | Aryl derivatives of curcumin, demethoxycurcumin, bisdemethoxycurcumin or curcuminisoxazolide and their use as animal feed additives | AADAC, ARNT, PIGS | LMNA 2579/4885TSHR 3687/4885ALOX12 370/4885 |
“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.