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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 1/20 | 0.55 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 3/20 | 0.44 |
| ▸ | CES1 | P23141 | 3/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | GCGR | P47871 | 1/20 | 0.41 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
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 SCHEMBL8981699 | 0.98 | LMNA (0.52) | LMNATSHRALOX12ACHEPCSK9 | |
| Toluene SCHEMBL8635446 | 0.92 | LMNA (0.58) | LMNATSHRALOX12ACHEPCSK9 | |
| Toluene SCHEMBL80497 | 0.92 | TSHR (0.65) | LMNATSHRALOX12ACHEPCSK9 | |
| Toluene SCHEMBL6257976 | 0.92 | TSHR (0.65) | LMNATSHRALOX12ACHEPCSK9 | |
| Toluene SCHEMBL27455870 | 0.92 | TSHR (0.65) | LMNATSHRALOX12ACHEPCSK9 | |
| Toluene SCHEMBL2990240 | 0.92 | TSHR (0.65) | LMNATSHRALOX12ACHEPCSK9 | |
| Toluene SCHEMBL10941851 | 0.92 | TSHR (0.65) | LMNATSHRALOX12ACHEPCSK9 | |
| Toluene SCHEMBL18640410 | 0.92 | TSHR (0.65) | LMNATSHRALOX12ACHEPCSK9 | |
| Toluene SCHEMBL1549759 | 0.92 | TSHR (0.65) | LMNATSHRALOX12ACHEPCSK9 | |
| Toluene SCHEMBL27422075 | 0.92 | TSHR (0.65) | LMNATSHRALOX12ACHEPCSK9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102260493-B | Silicon nanowire-organic functional compound and preparation method thereof | CHINESE ACAD TECH INST PHYSICS | 2013-12-04 | — | — | CN | claimed |
| CN-102260493-A | Silicon nanowire-organic functional compound and preparation method thereof | — | 2011-11-30 | — | — | CN | claimed |
| US-20200161567-A9 | LIGHT-EMITTING METAL COMPLEX AND DEVICE | CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) | 2020-05-21 | — | — | US | disclosed |
| US-20180342684-A1 | LIGHT-EMITTING METAL COMPLEX AND DEVICE | CAMBRIDGE DISPLAY TECH LTD (GB) | 2018-11-29 | — | — | US | disclosed |
| CN-102260493-B | Silicon nanowire-organic functional compound and preparation method thereof | CHINESE ACAD TECH INST PHYSICS | 2013-12-04 | — | — | CN | disclosed |
| CN-102260493-A | Silicon nanowire-organic functional compound and preparation method thereof | — | 2011-11-30 | — | — | 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 (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-20200161567-A9 | LIGHT-EMITTING METAL COMPLEX AND DEVICE | ORC3, ITGAM, NR2E3 | LMNA 2205/4885TSHR 903/4885ALOX12 3121/4885 |
| US-20180342684-A1 | LIGHT-EMITTING METAL COMPLEX AND DEVICE | ORC3, ITGAM, NR2E3 | LMNA 2205/4885TSHR 903/4885ALOX12 3121/4885 |
“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.