Known targets — ChEMBL curated mechanism
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 | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
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 SCHEMBL28288247 | 0.92 | — | — | |
| Isopropyl Alcohol SCHEMBL28292853 | 0.92 | TP53 (0.57) | TP53ALDH1A1LMNACA1CA2 | |
| Isopropyl Alcohol SCHEMBL9737750 | 0.88 | — | — | |
| Isopropyl Alcohol SCHEMBL3155394 | 0.88 | TP53 (0.61) | TP53ALDH1A1LMNACA1CA2 | |
| Isopropyl Alcohol SCHEMBL538205 | 0.88 | TP53 (0.61) | TP53ALDH1A1LMNACA1CA2 | |
| Isopropyl Alcohol SCHEMBL15251690 | 0.84 | TP53 (0.57) | TP53ALDH1A1LMNACA1CA2 | |
| Isopropyl Alcohol SCHEMBL28304803 | 0.83 | TP53 (0.36) | TP53ALDH1A1LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL27861658 | 0.80 | FFAR3 (0.58) | TP53ALDH1A1LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL1679496 | 0.80 | — | — | |
| Isobutane SCHEMBL5196716 | 0.79 | TP53 (0.50) | TP53ALDH1A1CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105452354-B | Polymer material for container | 比瑞塑料公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-105246676-B | Container | 比瑞塑料公司 | 2018-11-02 | — | — | CN | disclosed |