Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | CKS1B | P61024 | 1/20 | 0.38 |
| ▸ | SKP1 | P63208 | 1/20 | 0.38 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
| ▸ | SMO | Q99835 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KIT | P10721 | 1/20 | 0.34 |
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 | 0.89 | CYP2C9 (0.73) | CYP2C9CYP2C19CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL13390508 | 0.86 | CYP2C9 (0.53) | CYP2C9CYP2C19CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL12649356 | 0.85 | CYP2C9 (0.61) | CYP2C9CYP2C19CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL1763439 | 0.85 | CYP2C9 (0.55) | CYP2C9CYP2C19CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL1763320 | 0.85 | CYP2C9 (0.55) | CYP2C9CYP2C19CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL2629182 | 0.83 | CYP2C9 (0.54) | CYP2C9CYP2C19CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL12751256 | 0.83 | CYP2C9 (0.53) | CYP2C9CYP2C19CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL2629176 | 0.83 | CYP2C9 (0.55) | CYP2C9CYP2C19CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL1763490 | 0.83 | CYP2C9 (0.54) | CYP2C9CYP2C19CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL6433552 | 0.83 | CYP2C9 (0.81) | 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 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 |