Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | MGAM | O43451 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | SI | P14410 | 2/20 | 0.50 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 5/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 2/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 4/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hexyl Acetate SCHEMBL28608655 | 0.93 | ALDH1A1 (0.57) | ALDH1A1MGAMGAASIMGAM2 | |
| SCHEMBL21753733 | 0.92 | MGAM (0.54) | ALDH1A1MGAMGAASIMGAM2 | |
| SCHEMBL241731 | 0.86 | ALDH1A1 (0.60) | ALDH1A1MGAMGAASIMGAM2 | |
| Acetic Acid Butyl Ester SCHEMBL8751379 | 0.86 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10TSHRATM | |
| Acetic Acid Butyl Ester SCHEMBL9615786 | 0.85 | ALDH1A1 (0.72) | ALDH1A1MGAMGAASIMGAM2 | |
| SCHEMBL23093496 | 0.84 | ALDH1A1 (0.58) | ALDH1A1MGAMGAASIMGAM2 | |
| SCHEMBL28368746 | 0.84 | ALDH1A1 (0.58) | ALDH1A1MGAMGAASIMGAM2 | |
| SCHEMBL8986788 | 0.84 | ALDH1A1 (0.58) | ALDH1A1MGAMGAASIMGAM2 | |
| SCHEMBL531120 | 0.84 | ALDH1A1 (0.58) | ALDH1A1MGAMGAASIMGAM2 | |
| SCHEMBL28346734 | 0.84 | ALDH1A1 (0.58) | ALDH1A1MGAMGAASIMGAM2 |
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-114364773-A | Aromatic oil mixture | 西姆莱斯股份公司 | 2022-04-15 | — | — | CN | disclosed |