Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | PRCP | P42785 | 8/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.38 |
| ▸ | HPGDS | O60760 | 3/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12107400 | 0.95 | GSK3B (0.39) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL12105490 | 0.93 | CYP3A4 (0.46) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL1294202 | 0.93 | HPGDS (0.38) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL1294197 | 0.93 | HPGDS (0.38) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL1294137 | 0.91 | CYP3A4 (0.49) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL1294132 | 0.91 | CYP3A4 (0.49) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL17655029 | 0.91 | CYP3A4 (0.49) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL1294133 | 0.91 | CYP3A4 (0.49) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL1294400 | 0.90 | PRCP (0.45) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL1294401 | 0.90 | PRCP (0.45) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9006455-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-04-14 | — | — | US | disclosed |