Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Isobutanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| Isobutanol SCHEMBL8909738 | 0.93 | — | — | |
| Isobutanol SCHEMBL28203124 | 0.86 | TSHR (0.82) | TSHRALDH1A1TDP1LMNA | |
| Isobutanol SCHEMBL1371166 | 0.86 | — | — | |
| Isobutanol SCHEMBL10889558 | 0.84 | TDP1 (0.62) | TSHRALDH1A1TDP1 | |
| Isobutanol SCHEMBL27873135 | 0.84 | TSHR (0.56) | TSHRALDH1A1TDP1LMNACYP2D6 | |
| Isobutanol SCHEMBL10277757 | 0.83 | — | — | |
| Acetone SCHEMBL2506708 | 0.83 | ALDH1A1 (0.43) | TSHRALDH1A1TDP1LMNATHPO | |
| Isobutanol SCHEMBL27702082 | 0.83 | TSHR (0.64) | TSHRALDH1A1TDP1CYP2D6CYP2C19 | |
| Acetone SCHEMBL9066475 | 0.83 | ALDH1A1 (0.43) | TSHRALDH1A1TDP1LMNATHPO | |
| Isobutanol SCHEMBL28425156 | 0.82 | TSHR (0.75) | TSHRALDH1A1TDP1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9434962-B2 | Integrated process for producing biofuels | NESTE OYJ (FI) | 2016-09-06 | — | — | US | disclosed |
| US-20120159839-A1 | Integrated Process for Producing Biofuels | NESTE OIL OYJ (FI) | 2012-06-28 | — | — | US | disclosed |
| WO-2012085340-A1 | AN INTEGRATED PROCESS FOR PRODUCING BIOFUELS | NESTE OIL OYJ (FI) | 2012-06-28 | — | — | WO | disclosed |
| EP-2468875-A1 | An integrated process for producing biofuels | Neste Oil Oyj (FI) | 2012-06-27 | — | — | EP | disclosed |