Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.59 |
| ▸ | TSHR | P16473 | 7/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | KDM6B | O15054 | 1/20 | 0.35 |
| ▸ | KDM5C | P41229 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.35 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.35 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Acetoacetic Acid SCHEMBL28448993 | 0.87 | ALDH1A1 (0.50) | ALDH1A1TSHRTP53MGAMGAA | |
| Acrylic Acid SCHEMBL29105755 | 0.82 | LMNA (0.59) | ALDH1A1TSHRTP53MGAMGAA | |
| Acetone SCHEMBL8655547 | 0.81 | — | — | |
| Zinc Ion SCHEMBL30429886 | 0.80 | MGAM (0.53) | ALDH1A1TSHRMGAMGAASI | |
| Zinc Ion SCHEMBL30430551 | 0.80 | MGAM (0.53) | ALDH1A1TSHRMGAMGAASI | |
| SCHEMBL23572297 | 0.80 | — | — | |
| Acrylamide SCHEMBL27601376 | 0.80 | ALDH1A1 (0.61) | ALDH1A1TSHRTP53MGAMGAA | |
| Bicarbonate SCHEMBL982744 | 0.78 | — | — | |
| Acetic Acid SCHEMBL11440462 | 0.78 | — | — | |
| Ethylene SCHEMBL10939775 | 0.77 | — | — |
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-6049010-A | Method of preparing 3-(3-methyl-2-buten-1-yl)-2,4-pentanedione and related dicarbonyl compounds | LOYOLA UNIVERSITY OF CHICAGO (US) | 2000-04-11 | — | — | US | disclosed |