Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SI | P14410 | 1/20 | 0.43 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL9461850 | 0.84 | GAA (0.54) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL9598280 | 0.82 | GAA (0.41) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL8308112 | 0.81 | ALDH1A1 (0.53) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL6806491 | 0.81 | ALDH1A1 (0.53) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL6809972 | 0.81 | ALDH1A1 (0.53) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL5362893 | 0.79 | CYP1A2 (0.40) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL4808766 | 0.79 | GAA (0.46) | MGAMGAASIMGAM2ALDH1A1 | |
| Methylene Chloride SCHEMBL3731960 | 0.77 | GAA (0.48) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL8677 | 0.76 | — | — | |
| SCHEMBL3817055 | 0.76 | MGAM (0.43) | MGAMGAASIMGAM2ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7339073-B2 | Method for obtaining 5-halogenolaevulinic acid alkyl esters | ALDENKORTT SVEN | 2008-03-04 | — | — | US | disclosed |
| US-20050070727-A1 | Method for obtaining 5-halogenolaevulinic acid alkyl esters | ALDENKORTT DR SVEN (DE) | 2005-03-31 | — | — | US | disclosed |