Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.75 |
| ▸ | LMNA | P02545 | 1/20 | 0.75 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | 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 SCHEMBL8073621 | 1.00 | — | — | |
| Isopropyl Alcohol SCHEMBL28076170 | 0.94 | — | — | |
| Isopropyl Alcohol SCHEMBL157881 | 0.94 | — | — | |
| Isopropyl Alcohol SCHEMBL9066428 | 0.94 | — | — | |
| Isopropyl Alcohol SCHEMBL29164092 | 0.94 | ALDH1A1 (0.86) | ALDH1A1LMNATSHRTDP1TP53 | |
| Isopropyl Alcohol SCHEMBL42097 | 0.94 | ALDH1A1 (0.86) | ALDH1A1LMNATSHRTDP1TP53 | |
| Isopropyl Alcohol SCHEMBL28380595 | 0.94 | ALDH1A1 (0.86) | ALDH1A1LMNATSHRTDP1TP53 | |
| Isopropyl Alcohol SCHEMBL3680075 | 0.94 | ALDH1A1 (0.86) | ALDH1A1LMNATSHRTDP1TP53 | |
| Isopropyl Alcohol SCHEMBL5722155 | 0.94 | — | — | |
| Isopropyl Alcohol SCHEMBL22773 | 0.94 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104262175-B | One class may utilize CO2Ionic liquid of regulation and control phase behavior and its preparation method and application | 河南师范大学 | 2016-06-29 | — | — | CN | claimed |
| EP-1198449-A1 | PROCESS FOR PREPARING ESTERQUATS | Akzo Nobel N.V. (NL) | 2002-04-24 | — | — | EP | disclosed |
| WO-2001009082-A1 | PROCESS FOR PREPARING ESTERQUATS | AKZO NOBEL N.V. (NL) | 2001-02-08 | — | — | WO | disclosed |