Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | GABRP | O00591 | 2/20 | 0.38 |
| ▸ | GABRD | O14764 | 2/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.38 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.38 |
| ▸ | GABRE | P78334 | 2/20 | 0.38 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.38 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.38 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.38 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.38 |
| ▸ | NNMT | P40261 | 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 | |
|---|---|---|---|---|
| SCHEMBL12678596 | 0.80 | NOS2 (0.46) | NOS3NOS2GABRPGABRDGABRA1 | |
| SCHEMBL12749109 | 0.80 | NOS2 (0.46) | NOS3NOS2GABRPGABRDGABRA1 | |
| SCHEMBL3927482 | 0.78 | MAOB (0.56) | KDM4EMAOBHDAC6ALDH1A1 | |
| SCHEMBL3927479 | 0.78 | MAOB (0.56) | KDM4EMAOBHDAC6ALDH1A1 | |
| SCHEMBL25490677 | 0.77 | NOS3 (0.39) | NOS3NOS2GABRPGABRDGABRA1 | |
| SCHEMBL14448365 | 0.77 | NOS3 (0.43) | NOS3NOS2GABRPGABRDGABRA1 | |
| SCHEMBL6470827 | 0.77 | ALDH1A1 (0.45) | NOS3NOS2GABRPGABRDGABRA1 | |
| SCHEMBL13357307 | 0.77 | NOS3 (0.43) | NOS3NOS2GABRPGABRDGABRA1 | |
| SCHEMBL4731796 | 0.77 | NOS3 (0.43) | NOS3NOS2GABRPGABRDGABRA1 | |
| SCHEMBL16379657 | 0.77 | ALDH1A1 (0.45) | NOS3NOS2GABRPGABRDGABRA1 |
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-2010094678-A1 | NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2010-08-26 | — | — | WO | disclosed |