Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.75 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.75 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.75 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.75 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.75 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.75 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.66 |
| ▸ | PRCP | P42785 | 4/20 | 0.55 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.49 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 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 | |
|---|---|---|---|---|
| SCHEMBL1746726 | 0.95 | CYP3A4 (0.82) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL1746728 | 0.95 | CYP3A4 (0.82) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL12175155 | 0.95 | CYP3A4 (0.82) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL15500054 | 0.91 | CYP3A4 (0.91) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL16479743 | 0.91 | CYP3A4 (0.91) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL12567635 | 0.91 | CYP3A4 (0.91) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL12567578 | 0.91 | CYP3A4 (0.91) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL13929970 | 0.90 | CYP3A4 (0.93) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL13306512 | 0.90 | CYP3A4 (0.93) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL18475464 | 0.90 | CYP3A4 (0.93) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9775831-B2 | Combinations comprising biphenyl derivatives for use in the treatment of HCV | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-10-03 | — | — | US | disclosed |
| US-9717712-B2 | Combinations comprising tricyclohexadecahexaene derivatives for use in the treatment of hepatitis C virus | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-08-01 | — | — | US | disclosed |