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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 5/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.43 |
| ▸ | PPARG | P37231 | 6/20 | 0.43 |
| ▸ | PPARD | Q03181 | 6/20 | 0.43 |
| ▸ | PPARA | Q07869 | 6/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.43 |
| ▸ | TLR2 | O60603 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | FABP4 | P15090 | 2/20 | 0.43 |
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 SCHEMBL28111680 | 1.00 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL430466 | 1.00 | — | — | |
| Butyl Alcohol SCHEMBL8652348 | 0.97 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 | |
| Hexane SCHEMBL20515869 | 0.97 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL5967988 | 0.97 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL25273747 | 0.97 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL11581089 | 0.97 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL21081157 | 0.97 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL17514042 | 0.97 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL11803299 | 0.97 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3193632-A1 | METHOD OF PRODUCING BEER HAVING A TAILORED FLAVOUR PROFILE | Heineken Supply Chain B.V. (NL) | 2017-07-26 | — | — | EP | disclosed |
| WO-2016036249-A1 | METHOD OF PRODUCING BEER HAVING A TAILORED FLAVOUR PROFILE | STICHTING S-ISPT (NL) | 2016-03-10 | — | — | WO | disclosed |
| EP-0420081-A1 | Monoclonal antibody against an acidic FGF protein, its production and use | Takeda Chemical Industries, Ltd. (JP) | 1991-04-03 | — | — | EP | disclosed |
| US-4943645-A | Benzoquinone derivatives and production thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-07-24 | — | — | US | disclosed |
| US-4874752-A | INHIBIT COLLAGEN BIOSYNTHESIS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1989-10-17 | — | — | US | disclosed |
| US-4808339-A | ARTHRITIS, ASTHMA, CIRRHOSIS, RHINITIS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1989-02-28 | — | — | US | disclosed |
| US-4751303-A | INHIBIT COLLAGEN BIOSYNTHESIS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-06-14 | — | — | US | disclosed |
| EP-0092136-B1 | BENZOQUINONE DERIVATIVES AND PRODUCTION THEREOF | Takeda Chemical Industries, Ltd. (JP) | 1985-08-28 | — | — | EP | disclosed |
| US-4526719-A | Benzoquinone derivatives and production thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1985-07-02 | — | — | US | disclosed |
| EP-0092136-A1 | Benzoquinone derivatives and production thereof | Takeda Chemical Industries, Ltd. (JP) | 1983-10-26 | — | — | EP | disclosed |