Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 5/20 | 0.45 |
| ▸ | PLK1 | P53350 | 3/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | SLC12A2 | P55011 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | RARB | P10826 | 1/20 | 0.34 |
| ▸ | RARG | P13631 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL7240516 | 0.99 | HCAR3 (0.44) | HCAR3PLK1XDHKDM4EALDH1A1 | |
| SCHEMBL7232819 | 0.99 | HCAR3 (0.44) | HCAR3PLK1XDHKDM4EALDH1A1 | |
| SCHEMBL7230456 | 0.93 | HCAR3 (0.42) | HCAR3KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL7230157 | 0.90 | MGLL (0.40) | HCAR3KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL7231042 | 0.89 | MGLL (0.41) | HCAR3KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL7229705 | 0.82 | MAPT (0.41) | KDM4EALDH1A1HPGDLMNATSHR | |
| SCHEMBL7240509 | 0.82 | HCAR3 (0.35) | HCAR3KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL30249775 | 0.81 | HCAR3 (0.43) | HCAR3KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL7229957 | 0.81 | HCAR3 (0.43) | HCAR3KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL7233569 | 0.80 | HCAR3 (0.38) | HCAR3GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6509359-B1 | Use as a neuramninidase inhibitor in virus | BIOCRYST PHARMACEUTICALS, INC. | 2003-01-21 | — | — | US | claimed |
| WO-1999014191-A1 | PYRROLIDIN-2-ONE COMPOUNDS AND THEIR USE AS NEURAMINIDASE INHIBITORS | BIOCRYST PHARMACEUTICALS, INC. (US) | 1999-03-25 | — | — | WO | claimed |
| US-6509359-B1 | Use as a neuramninidase inhibitor in virus | BIOCRYST PHARMACEUTICALS, INC. | 2003-01-21 | — | — | US | disclosed |