Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of 1,3-Propanediol. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | GRIA1 | P42261 | 3/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| 1,3-Propanediol SCHEMBL7758303 | 1.00 | ALDH1A1 (0.39) | ALDH1A1CA2SMN1; SMN2ATRLMNA | |
| 1,4-Butanediol SCHEMBL15301979 | 0.93 | SMN1; SMN2 (0.44) | ALDH1A1CA2SMN1; SMN2ATRLMNA | |
| 1,4-Butanediol SCHEMBL130918 | 0.93 | SMN1; SMN2 (0.44) | ALDH1A1CA2SMN1; SMN2ATRLMNA | |
| SCHEMBL4298844 | 0.90 | LMNA (0.47) | ALDH1A1CA2SMN1; SMN2ATRLMNA | |
| 1,6-Hexanediol SCHEMBL2180296 | 0.90 | LMNA (0.47) | ALDH1A1CA2SMN1; SMN2ATRLMNA | |
| 1,5-Pentanediol SCHEMBL2966670 | 0.90 | LMNA (0.47) | ALDH1A1CA2SMN1; SMN2ATRLMNA | |
| SCHEMBL4300373 | 0.90 | LMNA (0.47) | ALDH1A1CA2SMN1; SMN2ATRLMNA | |
| SCHEMBL28384587 | 0.90 | LMNA (0.47) | ALDH1A1CA2SMN1; SMN2ATRLMNA | |
| 1,3-Propanediol SCHEMBL2167722 | 0.88 | ATR (0.32) | ALDH1A1CA2SMN1; SMN2ATR | |
| 1,3-Propanediol SCHEMBL2167196 | 0.88 | CAMK2A (0.39) | ALDH1A1CA2SMN1; SMN2ATRKDM4E |
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 96 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111154098-B | Polyelectrolyte, preparation method and application thereof | 湘潭大学 | 2022-07-05 | — | — | CN | claimed |
| CN-111154098-A | Polyelectrolyte, preparation method and application thereof | 湘潭大学 | 2020-05-15 | — | — | CN | claimed |
| 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 | claimed |
| US-12500268-B2 | Nonaqueous electrolyte additive, nonaqueous electrolyte containing same, power storage device, and electric device | AESC JAPAN LTD. (JP) | 2025-12-16 | — | — | US | disclosed |
| US-20240297344-A1 | NONAQUEOUS ELECTROLYTE FOR SECONDARY BATTERY AND NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY EMPLOYING THE SAME | MITSUBISHI CHEMICAL CORPORATION (JP) | 2024-09-05 | — | — | US | disclosed |
| EP-4273989-A1 | SULFATE COMPOUND, NONAQUEOUS ELECTROLYTE CONTAINING SAME, AND POWER STORAGE DEVICE | AESC Japan Ltd. (JP) | 2023-11-08 | — | — | EP | disclosed |
| CN-116648804-A | Sulfate compound, nonaqueous electrolyte containing same, and electricity storage device | 远景动力技术(江苏)有限公司 | 2023-08-25 | — | — | CN | disclosed |
| US-20230253622-A1 | NONAQUEOUS ELECTROLYTE ADDITIVE, NONAQUEOUS ELECTROLYTE CONTAINING SAME, POWER STORAGE DEVICE, AND ELECTRIC DEVICE | ENVISION DYNAMICS TECHNOLOGY (JIANGSU) CO., LTD. (CN) | 2023-08-10 | — | — | US | disclosed |
| CN-115911573-A | Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same | 三菱化学株式会社 | 2023-04-04 | — | — | CN | disclosed |
| US-11616253-B2 | Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same | MITSUBISHI CHEMICAL CORPORATION (JP) | 2023-03-28 | — | — | US | disclosed |
| CN-115668568-A | Sulfate compound, nonaqueous electrolyte solution containing same, and electricity storage device | 远景动力技术(江苏)有限公司 | 2023-01-31 | — | — | CN | 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 |
| EP-1739783-A1 | NONAQUEOUS ELECTROLYTE SECONDARY BATTERY | Ube Industries, Ltd. (JP) | 2007-01-03 | — | — | EP | disclosed |
| US-20060166096-A1 | Nonaqueous electrolyte secondary battery | PANASONIC ENERGY CO., LTD (JP) | 2006-07-27 | — | — | US | disclosed |
| EP-1095039-B1 | NEW PHARMACEUTICALLY ACTIVE COMPOUNDS | ASTRAZENECA AB (SE) | 2003-08-27 | — | — | 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-6346625-B1 | ENZYME INHIBITORS FOR PROTEIN KINASES | ASTRAZENECA AB (SE) | 2002-02-12 | — | — | US | disclosed |
| EP-1095039-A2 | NEW PHARMACEUTICALLY ACTIVE COMPOUNDS | AstraZeneca AB (SE) | 2001-05-02 | — | — | EP | disclosed |
| WO-2000002877-A2 | NEW PHARMACEUTICALLY ACTIVE COMPOUNDS | ASTRAZENECA AB (SE) | 2000-01-20 | — | — | WO | disclosed |