Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of 1,3-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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | GABRP | O00591 | 2/20 | 0.33 |
| ▸ | GABRD | O14764 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.33 |
| ▸ | GABRE | P78334 | 2/20 | 0.33 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.33 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.33 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.33 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| 1,3-Butanediol SCHEMBL29094169 | 0.91 | TDP1 (0.40) | ALDH1A1TDP1TSHRALOX15 | |
| 1,3-Butanediol SCHEMBL18489821 | 0.91 | — | — | |
| 1,3-Butanediol SCHEMBL8729435 | 0.88 | TDP1 (0.38) | ALDH1A1TDP1TSHRALOX15 | |
| 1,3-Butanediol SCHEMBL21247045 | 0.88 | TDP1 (0.38) | ALDH1A1TDP1TSHRALOX15 | |
| 1,3-Butanediol SCHEMBL2871177 | 0.88 | TDP1 (0.38) | ALDH1A1TDP1TSHRALOX15 | |
| 1,3-Butanediol SCHEMBL587367 | 0.88 | TDP1 (0.42) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| 1,3-Butanediol SCHEMBL659565 | 0.86 | LMNA (0.46) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| 1,3-Butanediol SCHEMBL3883350 | 0.86 | LMNA (0.46) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| Propylene Glycol SCHEMBL27686921 | 0.83 | TDP1 (0.53) | ALDH1A1TDP1TP53TSHR | |
| Propylene Glycol SCHEMBL28320514 | 0.83 | TDP1 (0.53) | ALDH1A1TDP1TP53TSHR |
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-2210599-A1 | LIDOCAINE TAPE PREPARATION | Medrx Co., Ltd. (JP) | 2010-07-28 | — | — | EP | disclosed |