Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | NT5E | P21589 | 3/20 | 0.42 |
| ▸ | DAPK1 | P53355 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | CA9 | Q16790 | 4/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL29700247 | 0.84 | ALDH1A1 (0.54) | ALDH1A1TSHRDAPK1HSD17B10TDP1 | |
| SCHEMBL3042569 | 0.84 | ALDH1A1 (0.54) | ALDH1A1TSHRDAPK1HSD17B10TDP1 | |
| SCHEMBL5167481 | 0.83 | MEN1 (0.42) | ALDH1A1TSHRCA12CA1CA2 | |
| Formaldehyde SCHEMBL5123936 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TSHRDAPK1HSD17B10TDP1 | |
| SCHEMBL23433029 | 0.76 | LMNA (0.46) | ALDH1A1DAPK1HSD17B10HPGDSMN1; SMN2 | |
| SCHEMBL4163078 | 0.76 | MAOA (0.43) | ALDH1A1TSHRDAPK1CA12CA2 | |
| SCHEMBL1270822 | 0.75 | ALDH1A1 (0.45) | ALDH1A1TSHRNT5EDAPK1CA12 | |
| SCHEMBL29566314 | 0.75 | ALDH1A1 (0.45) | ALDH1A1TSHRNT5EDAPK1CA12 | |
| SCHEMBL582872 | 0.74 | ALDH1A1 (0.43) | ALDH1A1TSHRDAPK1CA12CA1 | |
| SCHEMBL1755214 | 0.74 | AURKA (0.49) | ALDH1A1TSHRNT5EDAPK1CA12 |
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-114478609-B | Method for using thiophenol photocatalyst in defluorination alkylation or defluorination protonation reaction | 中国科学技术大学 | 2023-06-16 | — | — | CN | disclosed |