Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.31 |
| ▸ | AXL | P30530 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| Formic Acid Methyl Ester SCHEMBL28109888 | 0.84 | BRD4 (0.40) | BRD4NUDT1AXLADORA2AADORA1 | |
| Ethoxycarbonyl Group SCHEMBL27554420 | 0.84 | BRD4 (0.35) | BRD4NUDT1AXL | |
| SCHEMBL29365560 | 0.79 | AXL (0.45) | BRD4NUDT1AXLADORA2AADORA1 | |
| SCHEMBL10776 | 0.79 | AXL (0.45) | BRD4NUDT1AXLADORA2AADORA1 | |
| Ethoxycarbonyl Group SCHEMBL27518656 | 0.77 | NUDT1 (0.62) | NUDT1AXL | |
| Acetic Acid SCHEMBL27874093 | 0.74 | HRH4 (0.38) | BRD4NUDT1AXLADORA2AADORA1 | |
| Ethoxycarbonyl Group SCHEMBL27550867 | 0.73 | AHR (0.62) | — | |
| Ethoxycarbonyl Group SCHEMBL28038687 | 0.73 | MAOB (0.38) | — | |
| Ethoxycarbonyl Group SCHEMBL27762816 | 0.72 | AHR (0.37) | BRD4 | |
| Ethoxycarbonyl Group SCHEMBL27648730 | 0.72 | CSNK2A1 (0.46) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100418968-C | Pirazino(aza)indole derivatives | VERNALIS RES LTD (GB) | 2008-09-17 | — | — | CN | disclosed |
| CN-1290847-C | Aza-aryl piperazines | HOFFMANN LA ROCHE (CH) | 2006-12-20 | — | — | CN | disclosed |
| CN-1289499-C | Pyrazino (aza) indole derivatives | VERNALIS RES LTD (GB) | 2006-12-13 | — | — | CN | disclosed |
| CN-1837207-A | Pirazino(aza)indole derivatives | VERNALIS RES LTD (GB) | 2006-09-27 | — | — | CN | disclosed |
| CN-1625558-A | Aza-arylpiperazines | HOFFMANN LA ROCHE (CH) | 2005-06-08 | — | — | CN | disclosed |
| CN-1337963-A | Pyrazino (aza) indole derivatives | VERNALIS RES LTD (GB) | 2002-02-27 | — | — | CN | disclosed |