Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.47 |
| ▸ | NOS1 | P29475 | 2/20 | 0.47 |
| ▸ | NOS2 | P35228 | 2/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 5/20 | 0.42 |
| ▸ | ABAT | P80404 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11635138 | 0.74 | CA2 (0.46) | NOS3NOS1NOS2CA1CA2 | |
| SCHEMBL4556165 | 0.73 | NOS3 (0.52) | NOS3NOS1NOS2HRH3LOXL2 | |
| SCHEMBL2202972 | 0.72 | NOS3 (0.56) | NOS3NOS1NOS2HRH3LOXL2 | |
| SCHEMBL2202977 | 0.72 | NOS3 (0.56) | NOS3NOS1NOS2HRH3LOXL2 | |
| SCHEMBL15828 | 0.71 | HRH3 (0.79) | NOS3NOS1NOS2HRH3LOXL2 | |
| SCHEMBL27238704 | 0.71 | HRH3 (0.79) | NOS3NOS1NOS2HRH3LOXL2 | |
| SCHEMBL6641630 | 0.70 | SLC7A5 (0.59) | NOS3NOS1NOS2MAPT | |
| SCHEMBL6641634 | 0.70 | SLC7A5 (0.59) | NOS3NOS1NOS2MAPT | |
| SCHEMBL24423474 | 0.69 | NOS3 (0.52) | NOS3NOS1NOS2HRH3LOXL2 | |
| SCHEMBL9654390 | 0.69 | NOS3 (0.52) | NOS3NOS1NOS2HRH3LOXL2 |
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-109912467-A | A kind of synthetic method of 2- aryl phenylethylamine derivative | 南昌航空大学 | 2019-06-21 | — | — | CN | disclosed |