Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | FDPS | P14324 | 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 SCHEMBL28296962 | 0.80 | SMN1; SMN2 (0.50) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 | |
| SCHEMBL2380939 | 0.78 | — | — | |
| SCHEMBL54852 | 0.78 | — | — | |
| SCHEMBL50388 | 0.78 | — | — | |
| Decane SCHEMBL20944799 | 0.76 | LMNA (0.57) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 | |
| Hexadecane SCHEMBL20944800 | 0.76 | LMNA (0.57) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 | |
| Hexylene Glycol SCHEMBL25204926 | 0.75 | TDP1 (0.32) | — | |
| SCHEMBL28299896 | 0.75 | — | — | |
| 1,4-Butanediol SCHEMBL8983355 | 0.75 | TDP1 (0.44) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 | |
| SCHEMBL27787445 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109851477-A | A kind of 1,4 butanediol compositions | 内蒙古东景生物环保科技有限公司 | 2019-06-07 | — | — | CN | disclosed |