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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.82 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 6/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 SCHEMBL1371166 | 1.00 | — | — | |
| Isobutanol SCHEMBL28425156 | 0.96 | TSHR (0.75) | TSHRALDH1A1TDP1LMNACNR1 | |
| Isobutanol SCHEMBL28142210 | 0.96 | — | — | |
| Isobutanol SCHEMBL16950267 | 0.96 | TSHR (0.75) | TSHRALDH1A1TDP1LMNACNR1 | |
| Isobutanol SCHEMBL9247119 | 0.92 | TSHR (0.69) | TSHRALDH1A1TDP1LMNACNR1 | |
| Isobutanol SCHEMBL9247154 | 0.92 | TSHR (0.69) | TSHRALDH1A1TDP1LMNACNR1 | |
| Isobutanol SCHEMBL8112322 | 0.92 | TSHR (0.69) | TSHRALDH1A1TDP1LMNACNR1 | |
| Isobutanol SCHEMBL28166864 | 0.91 | — | — | |
| Isobutanol SCHEMBL11800894 | 0.91 | TSHR (1.00) | TSHRALDH1A1TDP1LMNA | |
| Isobutanol SCHEMBL175952 | 0.91 | TSHR (1.00) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107772308-A | A kind of Chinese yam dried eggs and preparation method thereof | 贵州大学 | 2018-03-09 | — | — | CN | disclosed |