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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| 1,4-Butanediol SCHEMBL4893040 | 0.97 | TDP1 (0.62) | TDP1SMN1; SMN2TSHRALDH1A1LMNA | |
| Propylene Glycol SCHEMBL5181288 | 0.97 | TDP1 (0.71) | TDP1SMN1; SMN2TSHRALDH1A1LMNA | |
| Propylene Glycol SCHEMBL28804501 | 0.97 | TDP1 (0.71) | TDP1SMN1; SMN2TSHRALDH1A1LMNA | |
| 1,4-Butanediol SCHEMBL531424 | 0.97 | TDP1 (0.71) | TDP1SMN1; SMN2TSHRALDH1A1LMNA | |
| 1,4-Butanediol SCHEMBL28655257 | 0.97 | TDP1 (0.71) | TDP1SMN1; SMN2TSHRALDH1A1LMNA | |
| Propylene Glycol SCHEMBL1121840 | 0.97 | TDP1 (0.71) | TDP1SMN1; SMN2TSHRALDH1A1LMNA | |
| 1,4-Butanediol SCHEMBL27302584 | 0.97 | TDP1 (0.71) | TDP1SMN1; SMN2TSHRALDH1A1LMNA | |
| 1,5-Pentanediol SCHEMBL9343564 | 0.93 | TDP1 (0.67) | TDP1SMN1; SMN2TSHRALDH1A1LMNA | |
| 1,6-Hexanediol SCHEMBL3855738 | 0.93 | TDP1 (0.67) | TDP1SMN1; SMN2TSHRALDH1A1LMNA | |
| 1,5-Pentanediol SCHEMBL9614570 | 0.93 | TDP1 (0.67) | TDP1SMN1; SMN2TSHRALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3281542-A1 | POLYESTER FIBERS FOR ARTIFICIAL HAIR, PROCESS FOR PRODUCING SAME, AND HEADDRESS PRODUCT INCLUDING SAME | Kaneka Corporation (JP) | 2018-02-14 | — | — | EP | disclosed |