Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid Isobutyl Ester. 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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PRKCA | P17252 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Acetic Acid Isobutyl Ester SCHEMBL2052301 | 0.95 | TSHR (0.52) | TSHRALDH1A1LMNAHSD17B10TDP1 | |
| Acetic Acid Isobutyl Ester SCHEMBL4494304 | 0.95 | TSHR (0.52) | TSHRALDH1A1LMNAHSD17B10TDP1 | |
| Acetic Acid Isobutyl Ester SCHEMBL28790627 | 0.93 | TSHR (0.50) | TSHRALDH1A1LMNAHSD17B10TDP1 | |
| Acetic Acid Isobutyl Ester SCHEMBL10630875 | 0.93 | TSHR (0.50) | TSHRALDH1A1LMNAHSD17B10TDP1 | |
| Acetic Acid Isobutyl Ester SCHEMBL22678 | 0.88 | — | — | |
| Acetic Acid Isobutyl Ester SCHEMBL27572527 | 0.88 | TSHR (0.58) | TSHRALDH1A1LMNAHSD17B10TDP1 | |
| Acetic Acid Isobutyl Ester SCHEMBL28147809 | 0.86 | TSHR (0.52) | TSHRALDH1A1LMNAHSD17B10TDP1 | |
| Acetic Acid Isobutyl Ester SCHEMBL1533352 | 0.85 | TSHR (0.56) | TSHRALDH1A1LMNAHSD17B10TDP1 | |
| Acetic Acid Isobutyl Ester SCHEMBL8905422 | 0.85 | — | — | |
| Acetic Acid Isobutyl Ester SCHEMBL21641877 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113214048-B | Method for separating isobutanol, isobutyl acetate and ethanol by three-tower heat integration pressure swing rectification | 青岛科技大学 | 2022-08-12 | — | — | CN | claimed |
| CN-113214048-A | Method for separating isobutanol, isobutyl acetate and ethanol by three-tower heat integration pressure swing rectification | 青岛科技大学 | 2021-08-06 | — | — | CN | claimed |
| CN-113214048-B | Method for separating isobutanol, isobutyl acetate and ethanol by three-tower heat integration pressure swing rectification | 青岛科技大学 | 2022-08-12 | — | — | CN | disclosed |
| CN-113214048-B | Method for separating isobutanol, isobutyl acetate and ethanol by three-tower heat integration pressure swing rectification | 青岛科技大学 | 2022-08-12 | — | — | CN | disclosed |
| CN-113214048-A | Method for separating isobutanol, isobutyl acetate and ethanol by three-tower heat integration pressure swing rectification | 青岛科技大学 | 2021-08-06 | — | — | CN | disclosed |
| CN-113214048-A | Method for separating isobutanol, isobutyl acetate and ethanol by three-tower heat integration pressure swing rectification | 青岛科技大学 | 2021-08-06 | — | — | CN | disclosed |