Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL1644985 | 0.81 | GAA (0.39) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL23651715 | 0.81 | GAA (0.39) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL11163358 | 0.81 | GAA (0.55) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL27357474 | 0.81 | GAA (0.41) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL21069035 | 0.80 | CYP4F2 (0.38) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL436876 | 0.79 | GAA (0.40) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL6665142 | 0.79 | GAA (0.52) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL21069919 | 0.77 | GAA (0.50) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL1053009 | 0.77 | GAA (0.50) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL364270 | 0.77 | ALDH1A1 (0.54) | GAAMGAMSIMGAM2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2307429-B1 | SUBSTITUTED BUTANOL DERIVATIVES AND THEIR USE AS FRAGRANCE AND FLAVOR MATERIALS | TAKASAGO PERFUMERY CO LTD (JP) | 2018-02-28 | — | — | EP | disclosed |