Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 6/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.53 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KIT | P10721 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL2629191 | 0.87 | CYP2C19 (0.65) | CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL6441371 | 0.85 | CYP3A4 (0.61) | CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL6441221 | 0.84 | CYP2C9 (0.50) | CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL6445269 | 0.81 | CYP2C9 (0.49) | CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL6442505 | 0.81 | CYP2C9 (0.56) | CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL6442889 | 0.80 | CYP2C9 (0.55) | CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL13484146 | 0.80 | CYP2C19 (0.52) | CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL6445221 | 0.79 | CYP2C9 (0.54) | CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL12215153 | 0.79 | CYP2C9 (0.54) | CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL6443074 | 0.79 | CYP2C9 (0.55) | CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7662823-B2 | Pharmaceutical formulations of substituted azaindoleoxoacetic piperazine derivatives | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-02-16 | — | — | US | disclosed |
| US-7662823-B2 | Pharmaceutical formulations of substituted azaindoleoxoacetic piperazine derivatives | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-02-16 | — | — | US | disclosed |