Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.67 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.67 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.67 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL9912068 | 0.96 | CYP3A4 (0.70) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL205535 | 0.96 | CYP3A4 (0.70) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL2709489 | 0.96 | CYP3A4 (0.70) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL15274576 | 0.95 | CYP3A4 (0.65) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL15260862 | 0.95 | CYP3A4 (0.65) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL15274575 | 0.94 | CYP3A4 (0.64) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL15260850 | 0.94 | CYP3A4 (0.64) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL15260895 | 0.93 | CYP3A4 (0.73) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL15260896 | 0.93 | CYP3A4 (0.73) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL13071208 | 0.92 | CYP3A4 (0.66) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 |
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-2012074437-A2 | SUBSTITUTED AZOLES, ANTI-VIRAL ACTIVE INGREDIENT, PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF | АЛЛА ХЕМ, ЛЛС (US) | 2012-06-07 | — | — | WO | disclosed |