Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.32 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL125139 | 0.98 | ALDH1A1 (0.40) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| SCHEMBL3782518 | 0.82 | SOAT1 (0.44) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| SCHEMBL223479 | 0.81 | ALDH1A1 (0.50) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| SCHEMBL16465224 | 0.81 | ALDH1A1 (0.37) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| SCHEMBL3778175 | 0.78 | CES2 (0.40) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| SCHEMBL1366208 | 0.77 | SMN1; SMN2 (0.37) | CA12CA1CA2CA14ESR1 | |
| SCHEMBL250103 | 0.75 | ALDH1A1 (0.48) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| SCHEMBL30870369 | 0.75 | ALDH1A1 (0.43) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| SCHEMBL8923960 | 0.75 | ALDH1A1 (0.43) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| SCHEMBL18666926 | 0.75 | ALDH1A1 (0.43) | ALDH1A1LMNAHSD17B10ALOX15MGAM |
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-105820043-A | Production technique of difluoroacetone | 南通宝凯化工有限公司 | 2016-08-03 | — | — | CN | disclosed |