Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | DHODH | Q02127 | 2/20 | 0.44 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | RXRB | P28702 | 1/20 | 0.41 |
| ▸ | RXRG | P48443 | 1/20 | 0.41 |
| ▸ | CTSA | P10619 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NPY1R | P25929 | 1/20 | 0.38 |
| ▸ | NPY2R | P49146 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 SCHEMBL27690930 | 0.89 | DHODH (0.49) | CNR2DHODHCYP2A6RXRARXRB | |
| Acetic Acid SCHEMBL28170518 | 0.89 | DHODH (0.49) | CNR2DHODHCYP2A6RXRARXRB | |
| Acetic Acid SCHEMBL27614844 | 0.87 | CYP2A6 (0.54) | CNR2DHODHCYP2A6RXRARXRB | |
| Propionic Acid SCHEMBL27657150 | 0.86 | DHODH (0.47) | CNR2DHODHCYP2A6RXRARXRB | |
| Acetic Acid SCHEMBL28163149 | 0.86 | DHODH (0.49) | CNR2DHODHCYP2A6RXRARXRB | |
| Acetic Acid SCHEMBL27746609 | 0.86 | CYP2A6 (0.52) | CNR2DHODHCYP2A6RXRARXRB | |
| Acetic Acid SCHEMBL27630446 | 0.86 | CYP2A6 (0.52) | CNR2DHODHCYP2A6RXRARXRB | |
| Acetic Acid SCHEMBL27942328 | 0.86 | DHODH (0.55) | CNR2DHODHCYP2A6RXRARXRB | |
| Acetic Acid SCHEMBL27431020 | 0.86 | CYP2A6 (0.52) | CNR2DHODHCYP2A6RXRARXRB | |
| Acetic Acid SCHEMBL28224071 | 0.86 | CYP2A6 (0.52) | CNR2DHODHCYP2A6RXRARXRB |
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 |
|---|---|---|---|---|---|---|---|
| CN-106117025-B | The secondary butyl ester transfer hydrogenation of sec-butyl alcohol Dichlorodiphenyl Acetate produces the process of methyl ethyl ketone simultaneously | 九江齐鑫化工有限公司 | 2019-04-05 | — | — | CN | disclosed |
| CN-106117025-A | Sec-butyl alcohol Dichlorodiphenyl Acetate secondary butyl ester transfer hydrogenation produces the process of butanone simultaneously | 九江齐鑫化工有限公司 | 2016-11-16 | — | — | CN | disclosed |