Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.67 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | HMGCR | P04035 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | FDPS | P14324 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | SLC15A2 | Q16348 | 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 | |
|---|---|---|---|---|
| Tert-Butanol SCHEMBL28779760 | 0.97 | ALDH1A1 (0.62) | ALDH1A1TDP1LMNAFFAR3TSHR | |
| Tert-Butanol SCHEMBL23923797 | 0.97 | ALDH1A1 (0.71) | ALDH1A1TDP1LMNAFFAR3TSHR | |
| Tert-Butanol SCHEMBL11318776 | 0.93 | ALDH1A1 (0.67) | ALDH1A1TDP1LMNAFFAR3TSHR | |
| Butanone SCHEMBL3981180 | 0.86 | ALDH1A1 (0.91) | ALDH1A1TDP1LMNAFFAR3TSHR | |
| Butanone SCHEMBL548560 | 0.86 | — | — | |
| Butanone SCHEMBL28350067 | 0.82 | — | — | |
| Butanone SCHEMBL10483459 | 0.82 | ALDH1A1 (0.83) | ALDH1A1TDP1LMNAFFAR3TSHR | |
| Butanone SCHEMBL4639960 | 0.82 | ALDH1A1 (0.83) | ALDH1A1TDP1LMNAFFAR3TSHR | |
| Butanone SCHEMBL28783911 | 0.82 | ALDH1A1 (0.83) | ALDH1A1TDP1LMNAFFAR3TSHR | |
| Butanone SCHEMBL1039820 | 0.82 | ALDH1A1 (1.00) | ALDH1A1TDP1LMNAFFAR3TSHR |
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-114716302-A | Method and device for separating acetone, methanol, butanone and tert-butanol system | 山东科技大学 | 2022-07-08 | — | — | CN | disclosed |