Known targets — ChEMBL curated mechanism
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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.43 |
| ▸ | CA9 | Q16790 | 4/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL528809 | 0.86 | CA12 (0.45) | CA12CA9ALOX12LMNAC5AR1 | |
| SCHEMBL5745107 | 0.81 | CA12 (0.37) | CA12CA9LMNATSHRCA2 | |
| SCHEMBL18227925 | 0.80 | CA12 (0.31) | CA12CA9CA2NPSR1 | |
| SCHEMBL528808 | 0.80 | HTR2A (0.35) | CA12CA9CA2CA1ALDH1A1 | |
| Toluene SCHEMBL7528835 | 0.77 | ALOX12 (0.61) | CA12CA9ALOX12ACHELMNA | |
| Toluene SCHEMBL5070325 | 0.77 | ALOX12 (0.61) | CA12CA9ALOX12ACHELMNA | |
| Toluene SCHEMBL6518752 | 0.77 | ALOX12 (0.61) | CA12CA9ALOX12ACHELMNA | |
| Toluene SCHEMBL2778247 | 0.77 | ALOX12 (0.61) | CA12CA9ALOX12ACHELMNA | |
| Toluene SCHEMBL3973761 | 0.77 | ALOX12 (0.61) | CA12CA9ALOX12ACHELMNA | |
| Toluene SCHEMBL27819482 | 0.77 | ALOX12 (0.61) | CA12CA9ALOX12ACHELMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3542785-A1 | CONTROLLED RELEASE OF ACTIVES IN SKIN | Rutgers, The State University of New Jersey (US) | 2019-09-25 | — | — | EP | disclosed |
| EP-2114377-B1 | CONTROLLED RELEASE OF ACTIVES IN SKIN | UNIV RUTGERS (US) | 2018-10-17 | — | — | EP | disclosed |
| US-8414871-B2 | Controlled releases of actives in skin | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2013-04-09 | — | — | US | disclosed |
| US-20090317472-A1 | CONTROLLED RELEASES OF ACTIVES IN SKIN | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2009-12-24 | — | — | US | disclosed |
| EP-2114377-A2 | CONTROLLED RELEASE OF ACTIVES IN SKIN | Rutgers, The State University of New Jersey (US) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008095144-A2 | CONTROLLED RELEASE OF ACTIVES IN SKIN | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2008-08-07 | — | — | 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 (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-20090317472-A1 | CONTROLLED RELEASES OF ACTIVES IN SKIN | CUTA, ABCB4, ABCF1 | CA12 2471/4885CA9 3292/4885ALOX12 910/4885 |
“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.