Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Undecanol. 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 | 0.52 |
| ▸ | TSHR | P16473 | 5/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.72 |
| ▸ | LMNA | P02545 | 2/20 | 0.72 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.72 |
| ▸ | MEN1 | O00255 | 2/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.67 |
| ▸ | GPR84 | Q9NQS5 | 8/20 | 0.52 |
| ▸ | PPARG | P37231 | 7/20 | 0.52 |
| ▸ | PPARD | Q03181 | 7/20 | 0.52 |
| ▸ | PPARA | Q07869 | 7/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.52 |
| ▸ | TLR2 | O60603 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | FABP4 | P15090 | 2/20 | 0.52 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.52 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Decanol SCHEMBL9576533 | 1.00 | TSHR (0.72) | TSHRALDH1A1LMNAHSD17B10MEN1 | |
| Myristyl Alcohol SCHEMBL9576538 | 1.00 | TSHR (0.72) | TSHRALDH1A1LMNAHSD17B10MEN1 | |
| Cetostearyl Alcohol SCHEMBL9576504 | 1.00 | TSHR (0.72) | TSHRALDH1A1LMNAHSD17B10MEN1 | |
| 1-Heptanol SCHEMBL25423573 | 1.00 | TSHR (0.72) | TSHRALDH1A1LMNAHSD17B10MEN1 | |
| Acetic Acid SCHEMBL9650071 | 1.00 | TSHR (0.72) | TSHRALDH1A1LMNAHSD17B10MEN1 | |
| 1-Heptanol SCHEMBL25433349 | 1.00 | TSHR (0.72) | TSHRALDH1A1LMNAHSD17B10MEN1 | |
| Nonanol SCHEMBL3168157 | 1.00 | TSHR (0.72) | TSHRALDH1A1LMNAHSD17B10MEN1 | |
| Decanol SCHEMBL20774537 | 1.00 | TSHR (0.72) | TSHRALDH1A1LMNAHSD17B10MEN1 | |
| Tridecan-1-Ol SCHEMBL20774540 | 1.00 | TSHR (0.72) | TSHRALDH1A1LMNAHSD17B10MEN1 | |
| Cetyl Alcohol SCHEMBL9252747 | 1.00 | TSHR (0.72) | TSHRALDH1A1LMNAHSD17B10MEN1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6143288-A | USING BORNEOL, OR RACEMIC MIXTURE THEREOF | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2000-11-07 | — | — | US | disclosed |
| US-5635173-A | EXPOSING THE ENVIRONMENT SURROUNDING THE TRAP TO AN INSECT ATTRACTANT CONTAINING A MIXTURE OF BIODEGRADABLE POLYCAPROLACTONE OR POLYURETHANE AND D-LIMONENE | INTERNATIONAL FLAVORS & FRAGRANCES (US) | 1997-06-03 | — | — | US | disclosed |
| US-5635174-A | USING JASMINE ABSOLUTE | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1997-06-03 | — | — | US | disclosed |
| US-5633236-A | SILANEDIOL, BORATE | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1997-05-27 | — | — | US | disclosed |
| EP-0660667-B1 | INSECT REPELLENT COMPOSITIONS AND METHODS FOR USING SAME | INT FLAVORS & FRAGRANCES INC (US) | 1997-04-23 | — | — | EP | disclosed |
| US-5521165-A | HETEROCYCLIC ORGANOBORON DERIVATIVES IN A POLYMER MATRIX | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1996-05-28 | — | — | US | disclosed |
| EP-0660667-A1 | INSECT REPELLENT COMPOSITIONS AND METHODS FOR USING SAME. | INT FLAVORS & FRAGRANCES INC (US) | 1995-07-05 | — | — | EP | disclosed |
| US-5401500-A | House flies attracted with benzoin group and dimethyl benzyl carbinyl acetate | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1995-03-28 | — | — | US | disclosed |
| WO-1994006295-A1 | INSECT REPELLENT COMPOSITIONS AND METHODS FOR USING SAME | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1994-03-31 | — | — | WO | disclosed |
| US-5250575-A | Exposure to concentration in detergent or candle | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1993-10-05 | — | — | US | disclosed |
| US-5236715-A | Sex attractant for the mint root borer | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 1993-08-17 | — | — | US | disclosed |
| US-5175175-A | Mixture of 1-octen-4-ol and Schiff base | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1992-12-29 | — | — | US | disclosed |
| US-5165926-A | Mosquitoes | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1992-11-24 | — | — | US | disclosed |
| US-5118711-A | Ketone, ketoesters and alcohol in repelling insects; use of aliphatic ester in attracting insects and process and apparatus for determination of insect repellency and attractancy | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1992-06-02 | — | — | US | disclosed |
| US-5091423-A | Using a damascone compound | INTERNATIONAL FLAVORS AND FRAGRANCES INC. (US) | 1992-02-25 | — | — | US | disclosed |