Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.71 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.71 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | SOAT1 | P35610 | 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 | |
|---|---|---|---|---|
| Butanone SCHEMBL28350067 | 0.85 | — | — | |
| Butanone SCHEMBL1310 | 0.84 | — | — | |
| Butanone SCHEMBL1510153 | 0.84 | — | — | |
| Butanone SCHEMBL1039820 | 0.84 | ALDH1A1 (1.00) | ALDH1A1TDP1FFAR3TRPA1LMNA | |
| Butanone SCHEMBL8379087 | 0.84 | ALDH1A1 (1.00) | ALDH1A1TDP1FFAR3TRPA1LMNA | |
| Butanone SCHEMBL2212630 | 0.81 | — | — | |
| Butanone SCHEMBL2892085 | 0.81 | — | — | |
| Butanone SCHEMBL21631022 | 0.81 | — | — | |
| Butanone SCHEMBL8740436 | 0.81 | — | — | |
| Butanone SCHEMBL20558041 | 0.81 | — | — |
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-4415713-A | REACTING MAGNESIUM CHLORIDE, A TITANIUM CHLORIDE-ESTER COMPLEX, LIQUID AROMATIC HYDROCARBON, AN ORGANO ALUMINUM COMPOUND AND DILUENT | TOYO STAUFFER CHEMICAL CO., LTD. (JP) | 1983-11-15 | — | — | US | disclosed |