Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLOD2 | O00469 | 4/20 | 0.56 |
| ▸ | PLOD3 | O60568 | 3/20 | 0.56 |
| ▸ | PLOD1 | Q02809 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MPO | P05164 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5160670 | 0.81 | PLOD2 (0.60) | PLOD2PLOD3PLOD1CYP1A2CYP3A4 | |
| SCHEMBL19459868 | 0.81 | CYP3A4 (0.51) | PLOD2PLOD3PLOD1CYP1A2CYP3A4 | |
| SCHEMBL10948430 | 0.80 | PLOD2 (0.83) | PLOD2PLOD3PLOD1CYP1A2CYP3A4 | |
| SCHEMBL17179998 | 0.79 | PLOD2 (0.68) | PLOD2PLOD3PLOD1CYP1A2CYP3A4 | |
| SCHEMBL1062957 | 0.78 | PLOD2 (0.56) | PLOD2PLOD3PLOD1CYP1A2CYP3A4 | |
| SCHEMBL3108729 | 0.76 | PLOD2 (0.64) | PLOD2PLOD3PLOD1CYP1A2CYP3A4 | |
| SCHEMBL16373727 | 0.75 | CYP2C19 (0.57) | PLOD2PLOD3PLOD1CYP1A2CYP3A4 | |
| SCHEMBL28972977 | 0.75 | PLOD2 (0.62) | PLOD2PLOD3PLOD1CYP1A2CYP3A4 | |
| SCHEMBL29664616 | 0.75 | PLOD2 (0.62) | PLOD2PLOD3PLOD1CYP1A2CYP3A4 | |
| SCHEMBL200805 | 0.74 | PLOD2 (0.73) | PLOD2PLOD3PLOD1CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-9790197-B2 | Compound, pharmaceutically acceptable salt or optical isomer thereof, method for preparing the same, and pharmaceutical composition for prevention or treatment of viral diseases containing same as active ingredient | KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R & D (BE) | 2017-10-17 | — | — | US | disclosed |