Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 10/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | ASIC3 | Q9UHC3 | 2/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL206283 | 0.74 | PDK2 (0.48) | CYP2A6 | |
| SCHEMBL29540403 | 0.74 | PDK2 (0.48) | CYP2A6 | |
| SCHEMBL12647751 | 0.74 | CYP11B1 (0.70) | IDO1POLBSMN1; SMN2CYP11B1CYP11B2 | |
| SCHEMBL205481 | 0.73 | IDO1 (0.64) | IDO1POLBSMN1; SMN2CYP11B1CYP11B2 | |
| SCHEMBL21669605 | 0.71 | IDO1 (0.63) | IDO1POLBSMN1; SMN2CYP11B1CYP11B2 | |
| SCHEMBL13231061 | 0.71 | PDK2 (0.46) | MAPTCYP2A6 | |
| SCHEMBL1502406 | 0.71 | IDO1 (0.64) | IDO1POLBSMN1; SMN2CYP11B1CYP11B2 | |
| SCHEMBL1901766 | 0.69 | IDO1 (1.00) | IDO1POLBSMN1; SMN2ASIC3MAPT | |
| SCHEMBL18829568 | 0.67 | MAPK13 (0.40) | SCN9A | |
| SCHEMBL19764175 | 0.67 | PDK2 (0.48) | — |
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 |