Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of 1,6-Hexanediol. 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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 5/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GRIA1 | P42261 | 3/20 | 0.36 |
| ▸ | FNTA | P49354 | 1/20 | 0.36 |
| ▸ | FNTB | P49356 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| 1,5-Pentanediol SCHEMBL2966670 | 1.00 | LMNA (0.47) | LMNAALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL4298844 | 1.00 | LMNA (0.47) | LMNAALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL28384587 | 1.00 | LMNA (0.47) | LMNAALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL4300373 | 1.00 | LMNA (0.47) | LMNAALDH1A1HSD17B10MEN1KMT2A | |
| 1,4-Butanediol SCHEMBL130918 | 0.97 | SMN1; SMN2 (0.44) | LMNAALDH1A1HSD17B10MEN1KMT2A | |
| 1,4-Butanediol SCHEMBL15301979 | 0.97 | SMN1; SMN2 (0.44) | LMNAALDH1A1HSD17B10MEN1KMT2A | |
| 1,3-Propanediol SCHEMBL7758303 | 0.90 | ALDH1A1 (0.39) | LMNAALDH1A1HSD17B10MEN1KMT2A | |
| 1,3-Propanediol SCHEMBL576409 | 0.90 | ALDH1A1 (0.39) | LMNAALDH1A1HSD17B10MEN1KMT2A | |
| 1,5-Pentanediol SCHEMBL2168837 | 0.89 | GPR84 (0.46) | LMNAALDH1A1HSD17B10MEN1KMT2A | |
| Decanol SCHEMBL9046992 | 0.89 | LMNA (0.68) | LMNAALDH1A1HSD17B10MEN1KMT2A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1772924-B1 | NONAQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM SECONDARY BATTERY | UBE INDUSTRIES (JP) | 2013-04-10 | — | — | EP | disclosed |
| US-20130085248-A1 | POLYMERS PREPARED FROM MIXTURES OF MULTIFUNCTIONAL N-VINYLFORMAMIDE AND HYBRID REACTIVE N-VINYLFORMAMIDE CROSSLINKING MONOMER MOIETIES AND USES THEREOF | ISP INVESTMENTS INC. (US) | 2013-04-04 | — | — | US | disclosed |
| WO-2011084993-A1 | POLYMERS PREPARED FROM MIXTURES OF MULTIFUNCTIONAL N-VINYLFORMAMIDE AND HYBRID REACTIVE N-VINYLFORMAMIDE CROSSLINKING MONOMER MOIETIES AND USES THEREOF | ISP INVESTMENTS INC. (US) | 2011-07-14 | — | — | WO | disclosed |
| US-20110166308-A1 | POLYMERS PREPARED FROM MIXTURES OF MULTIFUNCTIONAL N-VINYLFORMAMIDE AND HYBRID REACTIVE N-VINYLFORMAMIDE CROSSLINKING MONOMER MOIETIES AND USES THEREOF | ISP INVESTMENTS LLC | 2011-07-07 | — | — | US | disclosed |
| US-7629085-B2 | sulfur-containing acid ester and an alkyne-containing compound; excellent battery characteristics in cycle performance, electric capacity and storage property; e.g. 2-propynyl methyl carbonate and 1,3-propanesultone | UBE INDUSTRIES, LTD. (JP) | 2009-12-08 | — | — | US | disclosed |
| US-20070231707-A1 | Nonaqueous Electrolytic Solution and Lithium Secondary Battery | MU IONIC SOLUTIONS CORPORATION (JP) | 2007-10-04 | — | — | US | disclosed |
| EP-1772924-A1 | NONAQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM SECONDARY BATTERY | Ube Industries, Ltd. (JP) | 2007-04-11 | — | — | EP | disclosed |
| US-6436582-B1 | A NON-AQUEOUS SOLVENT AND (II) AN ELECTROLYTE SALT DISSOLVED THEREIN AND (III) A DISULFONATE ESTER DERIVATIVE | UBE INDUSTRIES, LTD. (JP) | 2002-08-20 | — | — | US | disclosed |
| US-4728337-A | AFTERTREATMENT TO DYEING WITH ANIONIC DYES | CIBA-GEIGY CORPORATION (US) | 1988-03-01 | — | — | US | disclosed |
| US-4721512-A | FINISHING LIQUID | CIBA-GEIGY CORPORATION (US) | 1988-01-26 | — | — | US | disclosed |
| US-4206215-A | Antimicrobial bis-[4-(substituted-amino)-1-pyridinium]alkanes | STERLING DRUG INC. (US) | 1980-06-03 | — | — | US | disclosed |