Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.64 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.64 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.64 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL5993645 | 0.88 | CYP3A4 (0.65) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL13014842 | 0.88 | CYP3A4 (0.64) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL1914011 | 0.87 | CYP3A4 (0.74) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL12098532 | 0.87 | CYP3A4 (0.74) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL8520521 | 0.87 | CYP3A4 (0.74) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL2708818 | 0.85 | CYP3A4 (0.72) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL204226 | 0.85 | CYP3A4 (0.72) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL17533006 | 0.84 | CYP3A4 (0.60) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL19528441 | 0.84 | CYP3A4 (0.70) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL15260813 | 0.82 | CYP3A4 (0.74) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012083170-A1 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2012-06-21 | — | — | WO | disclosed |
| WO-2012083164-A1 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2012-06-21 | — | — | WO | disclosed |
| EP-2455376-A1 | Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) | Abbott Laboratories (US) | 2012-05-23 | — | — | EP | disclosed |
| WO-2010144646-A2 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2010-12-16 | — | — | WO | disclosed |
| WO-2010120935-A1 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2010-10-21 | — | — | WO | disclosed |