Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Isopropyl Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.36 |
| ▸ | GABBR2 | O75899 | 2/20 | 0.35 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL8501608 | 0.96 | — | — | |
| Isopropyl Alcohol SCHEMBL7102704 | 0.96 | ALDH1A1 (0.55) | ALDH1A1LMNATRPV1TRPA1TSHR | |
| Ethylenediamine SCHEMBL10827943 | 0.83 | — | — | |
| Ethylenediamine SCHEMBL11666592 | 0.83 | ALDH1A1 (0.39) | ALDH1A1LMNATRPV1TRPA1TSHR | |
| Ethylenediamine SCHEMBL28191994 | 0.82 | — | — | |
| Ethylenediamine SCHEMBL11748356 | 0.82 | — | — | |
| Isopropyl Alcohol SCHEMBL5832209 | 0.80 | LMNA (0.46) | ALDH1A1LMNATRPV1TRPA1TSHR | |
| Isopropyl Alcohol SCHEMBL6248708 | 0.80 | — | — | |
| Isopropyl Alcohol SCHEMBL27528352 | 0.80 | — | — | |
| Isopropyl Alcohol SCHEMBL1289871 | 0.80 | ALDH1A1 (0.61) | ALDH1A1LMNATRPV1TRPA1TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10173999-B2 | Cyclic amine derivative and pharmaceutical use thereof | TORAY INDUSTRIES, INC. (JP) | 2019-01-08 | — | — | US | disclosed |
| US-20180065950-A1 | CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 2018-03-08 | — | — | US | 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-10173999-B2 | Cyclic amine derivative and pharmaceutical use thereof | OPRL1, PDE3A, TRPV1 | ALDH1A1 1890/4885LMNA 3299/4885TRPV1 3/4885 |
| US-20180065950-A1 | CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF | OPRL1, PDE3A, TRPV1 | ALDH1A1 1890/4885LMNA 3299/4885TRPV1 3/4885 |
“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.