Known targets — ChEMBL curated mechanism
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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA5A | P35218 | 1/20 | 0.57 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.33 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.30 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| 1,4-Butanediol SCHEMBL167828 | 1.00 | CA5A (0.57) | CA5ACA5BALDH1A1TDP1SMN1; SMN2 | |
| 1,4-Butanediol SCHEMBL1220765 | 1.00 | CA5A (0.57) | CA5ACA5BALDH1A1TDP1SMN1; SMN2 | |
| Nitric Acid SCHEMBL25202723 | 0.97 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1SMN1; SMN2 | |
| Nitric Acid SCHEMBL25180668 | 0.97 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1SMN1; SMN2 | |
| 1,5-Pentanediol SCHEMBL9875084 | 0.97 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1SMN1; SMN2 | |
| Nitric Acid SCHEMBL25264224 | 0.97 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1SMN1; SMN2 | |
| Nitric Acid SCHEMBL25180692 | 0.97 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1SMN1; SMN2 | |
| Nitric Acid SCHEMBL9874805 | 0.97 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1SMN1; SMN2 | |
| 1,6-Hexanediol SCHEMBL3771601 | 0.97 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1SMN1; SMN2 | |
| 1,6-Hexanediol SCHEMBL9873793 | 0.97 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1SMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5284995-A | Using a closed system with circulating solvent with no envirommental loss | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1994-02-08 | — | — | US | disclosed |