Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of 1,4-Butanediol. 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 | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.42 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | FNTA | P49354 | 1/20 | 0.37 |
| ▸ | FNTB | P49356 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| 1,6-Hexanediol SCHEMBL2166890 | 0.97 | GPR84 (0.46) | GPR84FFAR1FFAR4CAMK2AFFAR3 | |
| 1,5-Pentanediol SCHEMBL2168837 | 0.97 | GPR84 (0.46) | GPR84FFAR1FFAR4CAMK2AFFAR3 | |
| 1,3-Propanediol SCHEMBL2167196 | 0.94 | CAMK2A (0.39) | GPR84FFAR1FFAR4CAMK2AFFAR3 | |
| Acetic Acid SCHEMBL2169185 | 0.88 | FFAR3 (0.44) | CAMK2AFFAR3LCKFYNTDP1 | |
| 1,4-Butanediol SCHEMBL130918 | 0.88 | SMN1; SMN2 (0.44) | GPR84FFAR1FFAR4TDP1SMN1; SMN2 | |
| 1,4-Butanediol SCHEMBL15301979 | 0.88 | SMN1; SMN2 (0.44) | GPR84FFAR1FFAR4TDP1SMN1; SMN2 | |
| 1,4-Butanediol SCHEMBL2168624 | 0.86 | SMN1; SMN2 (0.41) | GPR84FFAR1FFAR4CAMK2AFFAR3 | |
| SCHEMBL4300373 | 0.85 | LMNA (0.47) | GPR84FFAR1FFAR4TDP1FNTA | |
| SCHEMBL28384587 | 0.85 | LMNA (0.47) | GPR84FFAR1FFAR4TDP1FNTA | |
| 1,6-Hexanediol SCHEMBL2180296 | 0.85 | LMNA (0.47) | GPR84FFAR1FFAR4TDP1FNTA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8383274-B2 | Nonaqueous electrolyte solution for lithium battery, lithium battery using same, and formyloxy group-containing compound used therein | UBE INDUSTRIES, LTD. (JP) | 2013-02-26 | — | — | US | claimed |
| US-8383274-B2 | Nonaqueous electrolyte solution for lithium battery, lithium battery using same, and formyloxy group-containing compound used therein | UBE INDUSTRIES, LTD. (JP) | 2013-02-26 | — | — | US | disclosed |
| US-20110183199-A1 | NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN | UBE INDUSTRIES, LTD. (JP) | 2011-07-28 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110183199-A1 | NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN | HCN2, KCNN2, KCNB1 | ADRA1A 4157/4885GPR84 2670/4885FFAR1 820/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.