Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.41 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1763330 | 0.73 | MAPK1 (0.48) | CYP3A4CLK4CCNB2CDK1CCNB1 | |
| SCHEMBL28083154 | 0.70 | CLK4 (0.53) | CYP3A4CLK4CCNB2CDK1CCNB1 | |
| SCHEMBL27595494 | 0.70 | CYP3A4 (0.47) | CYP3A4CLK4CCNB2CDK1CCNB1 | |
| SCHEMBL27595550 | 0.67 | CYP3A4 (0.45) | CYP3A4CLK4CCNB2CDK1CCNB1 | |
| SCHEMBL878911 | 0.67 | IKBKB (0.64) | CLK4CDK5DYRK1A | |
| SCHEMBL4867556 | 0.66 | CLK4 (0.48) | CYP3A4CLK4CCNB2CDK1CCNB1 | |
| SCHEMBL31232955 | 0.65 | GLA (0.51) | NPC1KMT2AMEN1KDM4ENPSR1 | |
| SCHEMBL15232687 | 0.65 | DYRK1A (0.53) | CYP3A4CLK4CCNB2CDK1CCNB1 | |
| SCHEMBL1823930 | 0.65 | DYRK1A (0.53) | CYP3A4CLK4DYRK1APTGS2NPC1 | |
| SCHEMBL23647565 | 0.64 | DYRK1A (0.49) | CYP3A4CLK4CCNB2CDK1CCNB1 |
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-1363705-A4 | COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2009-08-12 | — | — | EP | disclosed |
| EP-1363705-A1 | COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-11-26 | — | — | EP | disclosed |
| WO-2002062423-A1 | COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-08-15 | — | — | WO | disclosed |