Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | PLA2G2C | Q5R387 | 2/20 | 0.40 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL152685 | 0.89 | HSD17B10 (0.67) | ALDH1A1HSD17B10LMNAMAPTTSHR | |
| SCHEMBL29065193 | 0.89 | ALDH1A1 (0.59) | ALDH1A1HSD17B10LMNAMAPTTSHR | |
| Ethyl Acetate SCHEMBL28919049 | 0.89 | ALDH1A1 (0.41) | ALDH1A1HSD17B10LMNAMAPTTSHR | |
| Acetic Acid Pentyl Ester SCHEMBL27678838 | 0.88 | ALDH1A1 (0.60) | ALDH1A1HSD17B10MAPTTSHRUSP2 | |
| SCHEMBL911219 | 0.86 | ALDH1A1 (0.55) | ALDH1A1HSD17B10MAPTTSHRTDP1 | |
| Acetic Acid SCHEMBL3249565 | 0.85 | HSD17B10 (0.59) | ALDH1A1HSD17B10MAPTTSHRTDP1 | |
| Acetic Acid Butyl Ester SCHEMBL5070631 | 0.85 | ALDH1A1 (0.60) | ALDH1A1HSD17B10LMNAMAPTTSHR | |
| Ethyl Acetate SCHEMBL152186 | 0.83 | ALDH1A1 (0.58) | ALDH1A1HSD17B10LMNAMAPTTSHR | |
| Ethyl Acetate SCHEMBL6819747 | 0.83 | ALDH1A1 (0.67) | ALDH1A1HSD17B10LMNAMAPTTSHR | |
| SCHEMBL15902723 | 0.83 | HSD17B10 (0.73) | ALDH1A1HSD17B10MAPTTSHRTDP1 |
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-109564369-B | Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element | 日产化学株式会社 | 2022-08-26 | — | — | CN | disclosed |