Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | CES1 | P23141 | 5/20 | 0.43 |
| ▸ | CES2 | O00748 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9357017 | 1.00 | ALDH1A1 (0.46) | ALDH1A1TDP1HSD17B10CES1CES2 | |
| SCHEMBL474271 | 0.77 | CES1 (0.48) | ALDH1A1TDP1HSD17B10CES1CES2 | |
| SCHEMBL285311 | 0.76 | TSHR (0.48) | ALDH1A1TDP1HSD17B10CES1CES2 | |
| SCHEMBL11215615 | 0.75 | AKT1 (0.36) | ALDH1A1MAPK1TRPA1GSK3BHIF1A | |
| SCHEMBL1500738 | 0.75 | ALDH1A1 (0.42) | ALDH1A1TDP1HSD17B10CES1CES2 | |
| Benzophenone SCHEMBL11550529 | 0.74 | ALDH1A1 (0.74) | ALDH1A1TDP1CES1CES2TSHR | |
| Ammonia Solution, Strong SCHEMBL1411437 | 0.74 | TSHR (0.46) | ALDH1A1TDP1HSD17B10CES1CES2 | |
| SCHEMBL28740968 | 0.74 | TSHR (0.46) | ALDH1A1TDP1HSD17B10CES1CES2 | |
| Benzoic Acid SCHEMBL6130967 | 0.74 | TSHR (0.74) | ALDH1A1HSD17B10CES1CES2TSHR | |
| SCHEMBL11832605 | 0.74 | CA2 (0.46) | ALDH1A1TDP1HSD17B10CES1CES2 |
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-1991005605-A1 | CYCLODEXTRIN LABELS FOR IMMUNOASSAY AND BIOCHEMICAL ANALYSIS | KOSAK KENNETH M (US) | 1991-05-02 | — | — | WO | disclosed |