Known targets — ChEMBL curated mechanism
FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB
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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL2166131 | 0.89 | ALDH1A1 (0.30) | ALDH1A1 | |
| 1,4-Butanediol SCHEMBL575604 | 0.89 | SMN1; SMN2 (0.50) | SMN1; SMN2LMNAALDH1A1HSD17B10MEN1 | |
| 1,4-Butanediol SCHEMBL2166639 | 0.86 | SMN1; SMN2 (0.36) | SMN1; SMN2LMNAALDH1A1HSD17B10MEN1 | |
| Formic Acid SCHEMBL3273219 | 0.86 | — | — | |
| 1,3-Propanediol SCHEMBL575455 | 0.83 | ALDH1A1 (0.44) | SMN1; SMN2LMNAALDH1A1HSD17B10MEN1 | |
| 1,3-Propanediol SCHEMBL2167722 | 0.81 | ATR (0.32) | SMN1; SMN2ALDH1A1 | |
| 1,4-Butanediol SCHEMBL2165950 | 0.80 | — | — | |
| 1,4-Butanediol SCHEMBL2168624 | 0.79 | SMN1; SMN2 (0.41) | SMN1; SMN2LMNAALDH1A1HSD17B10MEN1 | |
| 1-Pentanol SCHEMBL2034248 | 0.78 | SMN1; SMN2 (0.71) | SMN1; SMN2LMNAALDH1A1HSD17B10MEN1 | |
| Formic Acid SCHEMBL2166835 | 0.77 | — | — |
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 2 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 | 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 | SMN1; SMN2 4507/4885LMNA 793/4885ALDH1A1 2190/4885 |
“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.