Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1294075 | 1.00 | CYP3A4 (0.54) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL1294070 | 1.00 | CYP3A4 (0.54) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL1293937 | 0.98 | CYP3A4 (0.56) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL1293935 | 0.98 | CYP3A4 (0.56) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL1315482 | 0.96 | CYP3A4 (0.55) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL1315485 | 0.96 | CYP3A4 (0.55) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL12107732 | 0.92 | CYP3A4 (0.62) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL933648 | 0.91 | CYP3A4 (0.65) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL1293909 | 0.91 | CYP3A4 (0.54) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL1478920 | 0.91 | CYP3A4 (0.52) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 |
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 |