Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CPT1A | P50416 | 8/20 | 0.36 |
| ▸ | CPT2 | P23786 | 5/20 | 0.36 |
| ▸ | PRCP | P42785 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL1985869 | 0.88 | CPT1A (0.34) | CYP3A4CPT1ACPT2PRCPKCNH2 | |
| SCHEMBL14331346 | 0.88 | PRCP (0.35) | CYP3A4CPT1ACPT2PRCPCYP2C9 | |
| Hydrochloric Acid SCHEMBL1985931 | 0.87 | CPT1A (0.35) | CYP3A4CPT1ACPT2PRCPKCNH2 | |
| Hydrochloric Acid SCHEMBL14331283 | 0.87 | CPT1A (0.35) | CYP3A4CPT1ACPT2PRCPCYP2C9 | |
| SCHEMBL19388693 | 0.86 | CYP3A4 (0.38) | CYP3A4CPT1ACPT2PRCPCYP2C9 | |
| SCHEMBL21334070 | 0.85 | CYP3A4 (0.37) | CYP3A4CPT1ACPT2PRCPCYP2C9 | |
| SCHEMBL19414795 | 0.84 | CPT1A (0.41) | CPT1ACPT2 | |
| SCHEMBL14331249 | 0.83 | CYP3A4 (0.50) | CYP3A4PRCPCYP2C9NR1I2ABCB11 | |
| SCHEMBL14776865 | 0.83 | CYP3A4 (0.50) | CYP3A4PRCPCYP2C9NR1I2ABCB11 | |
| SCHEMBL1982625 | 0.83 | CYP3A4 (0.39) | CYP3A4PRCPCYP2C9NR1I2ABCB11 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013025975-A1 | COMBINATION TREATMENTS FOR HEPATITIS C | GLAXOSMITHKLINE LLC (US) | 2013-02-21 | — | — | WO | disclosed |