Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 4/20 | 0.33 |
| ▸ | METAP1 | P53582 | 4/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL31738545 | 0.87 | ALDH1A1 (0.46) | ALDH1A1HPGDLMNAHSD17B10CYP2D6 | |
| SCHEMBL2169170 | 0.87 | ALDH1A1 (0.50) | ALDH1A1HPGDLMNAHSD17B10CYP2D6 | |
| SCHEMBL41804 | 0.87 | ALDH1A1 (0.50) | ALDH1A1HPGDLMNAHSD17B10CYP2D6 | |
| SCHEMBL934321 | 0.87 | ALDH1A1 (0.46) | ALDH1A1HPGDLMNAHSD17B10CYP2D6 | |
| SCHEMBL599198 | 0.87 | ALDH1A1 (0.46) | ALDH1A1HPGDLMNAHSD17B10CYP2D6 | |
| Ethane SCHEMBL29036071 | 0.85 | ALDH1A1 (0.48) | ALDH1A1HPGDLMNAHSD17B10CYP2D6 | |
| SCHEMBL17433679 | 0.85 | ALDH1A1 (0.48) | ALDH1A1HPGDLMNAHSD17B10CYP2D6 | |
| SCHEMBL28280411 | 0.85 | ALDH1A1 (0.48) | ALDH1A1HPGDLMNAHSD17B10CYP2D6 | |
| SCHEMBL8800736 | 0.85 | ALDH1A1 (0.48) | ALDH1A1HPGDLMNAHSD17B10CYP2D6 | |
| Ammonia Solution, Strong SCHEMBL27178316 | 0.85 | ALDH1A1 (0.43) | ALDH1A1HPGDLMNAHSD17B10CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001013740-A1 | ETHYL 3-ACETOXY-2-METHYLBUTYRATE AS A FLAVORING AGENT AND METHODS FOR PREPARING AND USING SAME | BUSH BOAKE ALLEN INC. (US) | 2001-03-01 | — | — | WO | disclosed |