Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | GHSR | Q92847 | 9/20 | 0.39 |
| ▸ | CFTR | P13569 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1763334 | 1.00 | CYP2D6 (0.61) | CYP2D6CYP2C9CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL12198959 | 0.93 | CYP2D6 (0.61) | CYP2D6CYP2C9CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL1763048 | 0.93 | CYP2D6 (0.63) | CYP2D6CYP2C9CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL1763499 | 0.90 | CYP2D6 (0.63) | CYP2D6CYP2C9CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL2629073 | 0.89 | CYP2C9 (0.70) | CYP2D6CYP2C9CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL4074587 | 0.89 | CYP2D6 (0.58) | CYP2D6CYP2C9CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL1763359 | 0.89 | CYP2D6 (0.58) | CYP2D6CYP2C9CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL1763196 | 0.88 | CYP2D6 (0.63) | CYP2D6CYP2C9CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL1763782 | 0.87 | CYP2D6 (0.64) | CYP2D6CYP2C9CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL4072420 | 0.87 | CYP2D6 (0.64) | CYP2D6CYP2C9CYP2C19CYP3A4CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1549313-A1 | COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES | Bristol-Myers Squibb Company (US) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004014380-A1 | COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-02-19 | — | — | WO | disclosed |