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 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 6/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 SCHEMBL3456475 | 0.87 | ACHE (0.58) | LMNATSHRALOX12ACHEPKM | |
| Toluene SCHEMBL19136016 | 0.82 | LMNA (0.65) | LMNATSHRALOX12ACHEKMT2A | |
| Toluene SCHEMBL4803839 | 0.81 | LMNA (0.55) | LMNATSHRALOX12ACHETRPA1 | |
| Toluene SCHEMBL28769535 | 0.80 | ACHE (0.69) | LMNATSHRALOX12ACHEKMT2A | |
| Toluene SCHEMBL5199381 | 0.80 | ACHE (0.69) | LMNATSHRALOX12ACHEKMT2A | |
| Toluene SCHEMBL5198578 | 0.80 | ACHE (0.69) | LMNATSHRALOX12ACHEKMT2A | |
| Toluene SCHEMBL11136681 | 0.80 | ACHE (0.69) | LMNATSHRALOX12ACHEKMT2A | |
| Toluene SCHEMBL27342895 | 0.80 | ACHE (0.69) | LMNATSHRALOX12ACHEKMT2A | |
| Toluene SCHEMBL22729215 | 0.80 | ACHE (0.69) | LMNATSHRALOX12ACHEKMT2A | |
| Toluene SCHEMBL20027 | 0.80 | ACHE (0.69) | LMNATSHRALOX12ACHEKMT2A |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150266892-A1 | AMPK Modulators | MERCURY THERAPEUTICS INC (US) | 2015-09-24 | — | — | US | disclosed |
| US-8980895-B2 | AMPK modulators | MERCURY THERAPEUTICS, INC. (US) | 2015-03-17 | — | — | US | disclosed |
| US-20120302576-A1 | AMPK MODULATORS | MERCURY THERAPEUTICS, INC. | 2012-11-29 | — | — | US | disclosed |
| US-8273744-B2 | AMPK modulators | MERCURY THERAPEUTICS, INC. (US) | 2012-09-25 | — | — | US | disclosed |
| US-8242139-B2 | Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme | ABBOTT LABORATORIES (US) | 2012-08-14 | — | — | US | disclosed |
| EP-2452937-A1 | Inhibitors of diacylglycerol o-acyltransferase type 1 enzyme | Abbott Laboratories (US) | 2012-05-16 | — | — | EP | disclosed |
| EP-2240016-A1 | AMPK MODULATORS | Mercury Therapeutics, Inc. (US) | 2010-10-20 | — | — | EP | disclosed |
| US-20100009992-A1 | AMPK MODULATORS | MERCURY THERAPEUTICS, INC. | 2010-01-14 | — | — | US | disclosed |
| EP-2142521-A1 | INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME | Abbott Laboratories (US) | 2010-01-13 | — | — | EP | disclosed |
| WO-2009100130-A1 | AMPK MODULATORS | MERCURY THERAPEUTICS, INC. (US) | 2009-08-13 | — | — | WO | disclosed |
| US-20080312282-A1 | Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme | ABBOTT LABORATORIES (US) | 2008-12-18 | — | — | US | disclosed |
| WO-2008134693-A1 | INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME | ABBOTT LABORATORIES (US) | 2008-11-06 | — | — | 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 (4 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-20150266892-A1 | AMPK Modulators | PRKAG1, PRKAG2, PRKAG3 | LMNA 4131/4885TSHR 1172/4885ALOX12 2067/4885 |
| US-20120302576-A1 | AMPK MODULATORS | PRKAG1, PRKAG2, PRKAG3 | LMNA 4131/4885TSHR 1172/4885ALOX12 2067/4885 |
| US-20080312282-A1 | Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme | DGAT1, DGAT2, LCAT | LMNA 3923/4885TSHR 3194/4885ALOX12 507/4885 |
| US-20100009992-A1 | AMPK MODULATORS | PRKAG1, PRKAG2, PRKAG3 | LMNA 4131/4885TSHR 1172/4885ALOX12 2067/4885 |
“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.