Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.43 |
| ▸ | AGXT | P21549 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27655946 | 0.75 | GLA (0.49) | GLANPSR1IDO1TLR9 | |
| SCHEMBL622656 | 0.74 | IDO1 (0.50) | IDO1CA12CA1CA2CA7 | |
| SCHEMBL33373858 | 0.73 | GLA (0.46) | GLANPSR1IDO1TLR9AGXT | |
| Ammonia Solution, Strong SCHEMBL8172708 | 0.72 | IDO1 (0.48) | IDO1 | |
| SCHEMBL3367622 | 0.71 | LTA4H (0.48) | IDO1LTA4H | |
| SCHEMBL21678055 | 0.71 | CYP2D6 (0.49) | IDO1CA12CA1CA2CA7 | |
| SCHEMBL28335303 | 0.71 | PKM (0.49) | GLANPSR1IDO1TLR9AGXT | |
| SCHEMBL4821864 | 0.71 | PKM (0.49) | GLANPSR1IDO1TLR9AGXT | |
| SCHEMBL3365060 | 0.71 | LTA4H (0.51) | IDO1LTA4H | |
| SCHEMBL13970345 | 0.71 | IDO1 (0.47) | IDO1AGXTLTA4HTAAR1CA12 |
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-110003110-B | Aryl beta-aminoketone compound and preparation method thereof | 南京工业大学 | 2022-09-06 | — | — | CN | claimed |