Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.73 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.66 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.66 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.66 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KIT | P10721 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6426124 | 0.88 | CYP2C9 (0.73) | CYP2C9CYP2C19CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL1763051 | 0.88 | CYP2C9 (0.78) | CYP2C9CYP2C19CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL1763629 | 0.87 | CYP2C9 (0.74) | CYP2C9CYP2C19CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL1763243 | 0.86 | CYP2C9 (0.71) | CYP2C9CYP2C19CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL17861491 | 0.86 | CYP2C9 (0.82) | CYP2C9CYP2C19CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL6422622 | 0.86 | CYP2C9 (0.73) | CYP2C9CYP2C19CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL1763634 | 0.86 | CYP2C9 (0.73) | CYP2C9CYP2C19CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL1763324 | 0.86 | CYP2C9 (0.75) | CYP2C9CYP2C19CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL1763492 | 0.85 | CYP2C9 (0.72) | CYP2C9CYP2C19CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL4071994 | 0.85 | CYP2C9 (0.72) | CYP2C9CYP2C19CYP2D6CYP3A4CYP1A2 |
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 |