Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 2/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | PRCP | P42785 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 5/20 | 0.37 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.36 |
| ▸ | DPP9 | Q86TI2 | 3/20 | 0.36 |
| ▸ | SCN4A | P35499 | 1/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.35 |
| ▸ | FAP | Q12884 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | GLI1 | P08151 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29268530 | 1.00 | NOS2 (0.38) | NOS2NOS3NOS1PRCPHSD17B10 | |
| SCHEMBL28317534 | 0.86 | DPP4 (0.38) | NOS2NOS3NOS1PRCPDPP4 | |
| SCHEMBL4958881 | 0.86 | DPP4 (0.38) | NOS2NOS3NOS1PRCPDPP4 | |
| SCHEMBL2228248 | 0.85 | NOS2 (0.41) | NOS2NOS3NOS1PRCPDPP4 | |
| SCHEMBL30856542 | 0.85 | NOS2 (0.41) | NOS2NOS3NOS1PRCPDPP4 | |
| SCHEMBL4001212 | 0.85 | NOS2 (0.41) | NOS2NOS3NOS1PRCPDPP4 | |
| SCHEMBL6859669 | 0.84 | NOS2 (0.46) | NOS2NOS3NOS1PRCPDPP4 | |
| SCHEMBL995604 | 0.84 | NOS2 (0.46) | NOS2NOS3NOS1PRCPDPP4 | |
| SCHEMBL146828 | 0.84 | NOS2 (0.46) | NOS2NOS3NOS1PRCPDPP4 | |
| SCHEMBL7100699 | 0.81 | NOS2 (0.38) | NOS2NOS3NOS1PRCPDPP4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104703991-B | Macrocyclic Inhibitors of Flaviviridae Viruses | 吉利德科学公司 | 2018-03-23 | — | — | CN | disclosed |