Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Butyl 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.79 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 5/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | DNM1 | Q05193 | 4/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Butyl Alcohol SCHEMBL16344507 | 1.00 | ALDH1A1 (0.79) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 | |
| Butyl Alcohol SCHEMBL1740753 | 1.00 | ALDH1A1 (0.79) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 | |
| Butyl Alcohol SCHEMBL4295139 | 0.96 | ALDH1A1 (0.85) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 | |
| Butyl Alcohol SCHEMBL9580455 | 0.96 | ALDH1A1 (0.85) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 | |
| Butyl Alcohol SCHEMBL566672 | 0.96 | ALDH1A1 (0.85) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 | |
| Butyl Alcohol SCHEMBL27600156 | 0.96 | ALDH1A1 (0.85) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 | |
| Butyl Alcohol SCHEMBL9548063 | 0.96 | ALDH1A1 (0.85) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 | |
| 1-Pentanol SCHEMBL9932608 | 0.94 | SMN1; SMN2 (0.75) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 | |
| Butyl Alcohol SCHEMBL19808779 | 0.93 | ALDH1A1 (0.79) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 | |
| Butyl Alcohol SCHEMBL28491831 | 0.93 | ALDH1A1 (0.79) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101239892-B | Method for preparing iso-butyraldehyde and isobutyl alcohol by methylacrolein hydrogenation | SHANGHAI HUAYI ACRYLIC ACID CO | 2010-12-08 | — | — | CN | disclosed |
| CN-101239892-A | Method for preparing iso-butyraldehyde and isobutyl alcohol by methylacrolein hydrogenation | SHANGHAI HUAYI ACRYLIC ACID CO (CN) | 2008-08-13 | — | — | CN | disclosed |
| WO-2000058709-A1 | METHOD AND APPARATUS FOR DETERMINING A PHYSICAL OR CHEMICAL CHARACTERISTIC OF A LIQUID | BRITISH NUCLEAR FUELS PLC (GB) | 2000-10-05 | — | — | WO | disclosed |