Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.40 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.40 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27956485 | 0.80 | POLB (0.44) | CYP3A4CYP2C9CYP2C19CYP19A1LMNA | |
| SCHEMBL11119098 | 0.79 | CYP19A1 (0.52) | CYP3A4CYP2C9CYP2C19CYP19A1LMNA | |
| SCHEMBL3582623 | 0.77 | IDO1 (0.46) | SMN1; SMN2 | |
| SCHEMBL16671822 | 0.76 | CYP19A1 (0.55) | CYP3A4CYP2C9CYP2C19CYP19A1LMNA | |
| SCHEMBL20365722 | 0.76 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2C19CYP19A1LMNA | |
| SCHEMBL9845503 | 0.74 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19CYP19A1LMNA | |
| SCHEMBL8915775 | 0.74 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19CYP19A1LMNA | |
| SCHEMBL19742868 | 0.73 | POLB (0.44) | CYP3A4CYP19A1HSP90AA1POLBHPGD | |
| SCHEMBL10333189 | 0.72 | POLB (0.40) | CYP3A4CYP2C9CYP2C19CYP19A1LMNA | |
| SCHEMBL3793619 | 0.72 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19CYP19A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0889881-B1 | NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS | NAEJA PHARMACEUTICAL INC (CA) | 2003-04-23 | — | — | EP | claimed |