Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | PRCP | P42785 | 1/20 | 0.31 |
| ▸ | F11 | P03951 | 1/20 | 0.31 |
| ▸ | CTSC | P53634 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL749933 | 0.92 | CYP2C9 (0.32) | CYP2C9NR1I2CYP3A4KCNH2ABCB11 | |
| SCHEMBL2706741 | 0.88 | CYP2C9 (0.45) | CYP2C9NR1I2CYP3A4KCNH2ABCB11 | |
| SCHEMBL19981457 | 0.88 | CYP2C9 (0.45) | CYP2C9NR1I2CYP3A4KCNH2ABCB11 | |
| SCHEMBL19792177 | 0.88 | CYP2C9 (0.45) | CYP2C9NR1I2CYP3A4KCNH2ABCB11 | |
| SCHEMBL18080886 | 0.88 | CYP2C9 (0.45) | CYP2C9NR1I2CYP3A4KCNH2ABCB11 | |
| SCHEMBL19792202 | 0.88 | CYP2C9 (0.45) | CYP2C9NR1I2CYP3A4KCNH2ABCB11 | |
| SCHEMBL206545 | 0.88 | CYP2C9 (0.45) | CYP2C9NR1I2CYP3A4KCNH2ABCB11 | |
| SCHEMBL16801376 | 0.87 | PRCP (0.33) | PRCP | |
| SCHEMBL19339539 | 0.85 | PRCP (0.32) | PRCP | |
| SCHEMBL19981365 | 0.84 | CYP2C9 (0.36) | CYP2C9NR1I2CYP3A4KCNH2ABCB11 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3272747-A1 | METHOD OF PREPARATION FOR LEDIPASVIR AND DERIVATIVE THEREOF, AND INTERMEDIATE COMPOUND FOR PREPARATION OF LEDIPASVIR | Shanghai Forefront Pharmceutical Co., Ltd (CN) | 2018-01-24 | — | — | EP | disclosed |