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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 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 SCHEMBL28115859 | 0.97 | ALDH1A1 (0.38) | ALDH1A1LMNACA2TSHRUSP2 | |
| SCHEMBL5394365 | 0.88 | CA2 (0.40) | CA2TSHRUSP2CA1TDP1 | |
| Isobutane SCHEMBL27504220 | 0.87 | CA2 (0.39) | ALDH1A1CA2TSHRUSP2CA1 | |
| SCHEMBL27259142 | 0.86 | TSHR (0.50) | ALDH1A1CA2TSHRUSP2CA1 | |
| SCHEMBL27346657 | 0.86 | TSHR (0.50) | ALDH1A1CA2TSHRUSP2CA1 | |
| SCHEMBL27308161 | 0.86 | TSHR (0.50) | ALDH1A1CA2TSHRUSP2CA1 | |
| SCHEMBL5991 | 0.86 | — | — | |
| SCHEMBL27943707 | 0.84 | CA2 (0.42) | ALDH1A1CA2TSHRUSP2CA1 | |
| SCHEMBL3018307 | 0.83 | CA14 (0.34) | CA2TSHRUSP2CA1CA14 | |
| SCHEMBL7791046 | 0.83 | CA2 (0.32) | CA2TSHRUSP2CA1CA14 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1918358-B1 | Process for the partial hydrogenation of fatty acid esters | COGNIS IP MAN GMBH (DE) | 2012-08-01 | — | — | EP | claimed |
| WO-2008043454-A1 | PROCESS FOR THE PARTIAL HYDROGENATION OF FATTY ACID ESTERS | COGNIS IP MANAGEMENT GMBH (DE) | 2008-04-17 | — | — | WO | claimed |