Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.70 |
| ▸ | CYP3A5 | P20815 | 6/20 | 0.70 |
| ▸ | CYP3A7 | P24462 | 6/20 | 0.70 |
| ▸ | CYP3A43 | Q9HB55 | 6/20 | 0.70 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.70 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.70 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.70 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.70 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.70 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.70 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | GNRHR | P30968 | 5/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13885882 | 1.00 | CYP3A4 (0.70) | CYP3A4CYP3A5CYP3A7CYP3A43KCNH2 | |
| SCHEMBL23801894 | 1.00 | CYP3A4 (0.70) | CYP3A4CYP3A5CYP3A7CYP3A43KCNH2 | |
| SCHEMBL19062630 | 0.93 | CYP3A4 (0.68) | CYP3A4CYP3A5CYP3A7CYP3A43KCNH2 | |
| SCHEMBL9968998 | 0.92 | CYP3A4 (0.73) | CYP3A4CYP3A5CYP3A7CYP3A43KCNH2 | |
| SCHEMBL15998080 | 0.91 | CYP3A4 (0.76) | CYP3A4CYP3A5CYP3A7CYP3A43KCNH2 | |
| SCHEMBL784787 | 0.91 | CYP3A4 (0.76) | CYP3A4CYP3A5CYP3A7CYP3A43KCNH2 | |
| SCHEMBL19937490 | 0.91 | CYP3A4 (0.69) | CYP3A4CYP3A5CYP3A7CYP3A43KCNH2 | |
| SCHEMBL14568303 | 0.91 | CYP3A4 (0.59) | CYP3A4CYP3A5CYP3A7CYP3A43KCNH2 | |
| SCHEMBL12966803 | 0.90 | CYP3A4 (0.71) | CYP3A4CYP3A5CYP3A7CYP3A43KCNH2 | |
| SCHEMBL14300442 | 0.90 | CYP3A4 (0.72) | CYP3A4CYP3A5CYP3A7CYP3A43KCNH2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007025284-A1 | TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | RIB-X PHARMACEUTICALS, INC. (US) | 2007-03-01 | — | — | WO | disclosed |