Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.51 |
| ▸ | PLOD3 | O60568 | 2/20 | 0.51 |
| ▸ | PLOD1 | Q02809 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 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 | |
|---|---|---|---|---|
| SCHEMBL19465019 | 0.81 | PLOD2 (0.56) | CYP3A4HPGDPLOD2PLOD3PLOD1 | |
| SCHEMBL10948430 | 0.75 | PLOD2 (0.83) | CYP3A4HPGDPLOD2PLOD3PLOD1 | |
| SCHEMBL31466251 | 0.75 | PLOD2 (0.58) | CYP3A4HPGDPLOD2PLOD3PLOD1 | |
| SCHEMBL2587127 | 0.75 | ALDH1A1 (0.53) | CYP3A4HPGDPLOD2PLOD3PLOD1 | |
| SCHEMBL17179998 | 0.74 | PLOD2 (0.68) | CYP3A4HPGDPLOD2PLOD3PLOD1 | |
| SCHEMBL1106938 | 0.74 | MAOA (0.67) | CYP3A4HPGDCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL17788483 | 0.74 | ALDH1A1 (0.52) | CYP3A4HPGDPLOD2PLOD3PLOD1 | |
| SCHEMBL1062957 | 0.74 | PLOD2 (0.56) | CYP3A4HPGDPLOD2PLOD3PLOD1 | |
| SCHEMBL1919299 | 0.73 | PLOD2 (0.60) | CYP3A4HPGDPLOD2PLOD3PLOD1 | |
| Bromide SCHEMBL7372571 | 0.73 | MAOA (0.65) | CYP3A4HPGDCYP1A2CYP2D6CYP2C19 |
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-9951058-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) | 2018-04-24 | — | — | US | disclosed |
| 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 |
| 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 |