Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2876926 | 0.90 | ALDH1A1 (0.41) | PAOXTP53ALDH1A1KDM4EPOLB | |
| SCHEMBL31051647 | 0.90 | ALDH1A1 (0.41) | PAOXTP53ALDH1A1KDM4EPOLB | |
| SCHEMBL7216698 | 0.85 | — | — | |
| SCHEMBL29052233 | 0.85 | ALDH1A1 (0.37) | TDP1ALDH1A1 | |
| SCHEMBL31591139 | 0.85 | ALDH1A1 (0.37) | TDP1ALDH1A1 | |
| SCHEMBL27505719 | 0.85 | GNAI3 (0.46) | PAOXDRD3 | |
| SCHEMBL14279163 | 0.84 | HSD11B1 (0.43) | NPSR1SMN1; SMN2ALDH1A1KDM4E | |
| Methane SCHEMBL28946775 | 0.83 | — | — | |
| SCHEMBL3409130 | 0.81 | TDP1 (0.48) | PAOXNPSR1TDP1POLB | |
| SCHEMBL28434268 | 0.81 | HSD17B10 (0.44) | NPSR1ALDH1A1KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4308550-A1 | CHIRAL TACN/NOTA COMPOUNDS/DERIVATIVES WITH AND WITHOUT METALS FOR APPLICATION | The Hong Kong Polytechnic University (CN) | 2024-01-24 | — | — | EP | disclosed |
| CN-117043145-A | Metal-containing and metal-free chiral TACN/NOTA compounds/derivatives for administration | 香港理工大学 | 2023-11-10 | — | — | CN | disclosed |
| WO-2022194298-A1 | Chiral TACN/NOTA compounds/derivatives with and without metals for application | THE HONG KONG POLYTECHNIC UNIVERSITY (CN) | 2022-09-22 | — | — | WO | disclosed |