Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.60 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.60 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.60 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | F11 | P03951 | 2/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| SCHEMBL12107465 | 1.00 | CYP3A4 (0.60) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL12107360 | 1.00 | CYP3A4 (0.60) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL1293878 | 0.97 | CYP3A4 (0.57) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL1293875 | 0.97 | CYP3A4 (0.57) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL1293880 | 0.97 | CYP3A4 (0.57) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL16407833 | 0.95 | CYP3A4 (0.54) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL15114750 | 0.95 | CYP3A4 (0.54) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL12148194 | 0.94 | CYP3A4 (0.67) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL12160010 | 0.94 | CYP3A4 (0.67) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL13338029 | 0.94 | CYP3A4 (0.67) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011059887-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-05-19 | — | — | WO | disclosed |
| WO-2011059850-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-05-19 | — | — | WO | disclosed |