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 | 4/20 | 0.65 |
| ▸ | ACHE | P22303 | 3/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 SCHEMBL22729215 | 0.97 | ACHE (0.69) | LMNAACHETSHRALOX12MEN1 | |
| Toluene SCHEMBL28769535 | 0.97 | ACHE (0.69) | LMNAACHETSHRALOX12MEN1 | |
| Toluene SCHEMBL6443613 | 0.97 | ACHE (0.69) | LMNAACHETSHRALOX12MEN1 | |
| Toluene SCHEMBL27342895 | 0.97 | ACHE (0.69) | LMNAACHETSHRALOX12MEN1 | |
| Toluene SCHEMBL5199381 | 0.97 | ACHE (0.69) | LMNAACHETSHRALOX12MEN1 | |
| Toluene SCHEMBL5198578 | 0.97 | ACHE (0.69) | LMNAACHETSHRALOX12MEN1 | |
| Toluene SCHEMBL11136681 | 0.97 | ACHE (0.69) | LMNAACHETSHRALOX12MEN1 | |
| Toluene SCHEMBL20027 | 0.97 | ACHE (0.69) | LMNAACHETSHRALOX12MEN1 | |
| Toluene SCHEMBL3455878 | 0.94 | LMNA (0.65) | LMNAACHETSHRALOX12MEN1 | |
| Toluene SCHEMBL28873544 | 0.94 | LMNA (0.65) | LMNAACHETSHRALOX12MEN1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100509722-C | Preparation method of 3,5-difluoro biphenyl derivative | DALIAN LVYUAN PHARMACEUTICAL C (CN) | 2009-07-08 | — | — | CN | claimed |
| CN-1903813-A | Preparation method of 3,5-difluoro biphenyl derivative | DALIAN LVYUAN PHARMACEUTICAL C (CN) | 2007-01-31 | — | — | CN | claimed |
| EP-3330342-B1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE USING SAME | LT MATERIALS CO LTD (KR) | 2021-09-15 | — | — | EP | disclosed |
| CN-214051620-U | Simple device for raising reaction temperature of mixed system under normal pressure | 济南宣正药业有限公司 | 2021-08-27 | — | — | CN | disclosed |
| EP-3330342-A2 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE USING SAME | Heesung Material Ltd. (KR) | 2018-06-06 | — | — | EP | disclosed |
| US-20170213988-A1 | HETERO-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME | HEESUNG MATERIAL LTD. (KR) | 2017-07-27 | — | — | US | disclosed |
| CN-100509722-C | Preparation method of 3,5-difluoro biphenyl derivative | DALIAN LVYUAN PHARMACEUTICAL C (CN) | 2009-07-08 | — | — | CN | disclosed |
| CN-1903813-A | Preparation method of 3,5-difluoro biphenyl derivative | DALIAN LVYUAN PHARMACEUTICAL C (CN) | 2007-01-31 | — | — | CN | 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-20170213988-A1 | HETERO-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME | CRY1, CRY2, PER2 | LMNA 1877/4885ACHE 1080/4885TSHR 4667/4885 |
“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.