Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.45 |
| ▸ | NOS3 | P29474 | 2/20 | 0.44 |
| ▸ | NOS2 | P35228 | 2/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | USP7 | Q93009 | 5/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.35 |
| ▸ | GABRE | P78334 | 1/20 | 0.35 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.35 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.35 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11716876 | 0.80 | USP7 (0.42) | DHFRNOS3NOS2USP7 | |
| SCHEMBL29127187 | 0.78 | NOS3 (0.48) | DHFRNOS3NOS2NOS1GABRP | |
| SCHEMBL5368853 | 0.75 | NOS2 (0.43) | DHFRNOS3NOS2NOS1USP7 | |
| SCHEMBL26087287 | 0.74 | L3MBTL1 (0.41) | NOS3NOS2 | |
| SCHEMBL3449189 | 0.72 | MBOAT4 (0.36) | NOS3NOS2USP7 | |
| SCHEMBL17404651 | 0.71 | NOS3 (0.50) | DHFRNOS3NOS2NOS1 | |
| SCHEMBL21919500 | 0.70 | NOS3 (0.44) | DHFRNOS3NOS2NOS1USP7 | |
| SCHEMBL395350 | 0.69 | HTT (0.41) | DHFRNOS3NOS2NOS1GABRP | |
| SCHEMBL16390263 | 0.68 | NOS3 (0.38) | DHFRNOS3NOS2NOS1 | |
| SCHEMBL1542472 | 0.68 | NOS2 (0.47) | DHFRNOS3NOS2NOS1USP7 |
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-1268437-A1 | INHIBITORS OF PROTEIN KINASES | Knoll GmbH (DE) | 2003-01-02 | — | — | EP | disclosed |
| WO-2002030908-A1 | INHIBITORS OF PROTEIN KINASES | KNOLL GMBH (DE) | 2002-04-18 | — | — | WO | disclosed |
| US-4357141-A | FATTY ACID, BENZYL ALCOHOL, CATIONIC POLYMER | L'OREAL (FR) | 1982-11-02 | — | — | US | disclosed |