Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.54 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.54 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.54 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.52 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.52 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31207160 | 0.83 | DYRK1A (0.57) | PDE10APDE3BPDE3AKDM4EMAPK1 | |
| SCHEMBL2612055 | 0.80 | PDE10A (0.51) | PDE10APDE3BPDE3AKDM4EMAPK1 | |
| SCHEMBL30050820 | 0.79 | PDE10A (0.50) | PDE10APDE3BPDE3AKDM4EMAPK1 | |
| SCHEMBL753230 | 0.78 | LMNA (0.52) | PTGS1AKR1C3AKR1C2PDE10APDE3B | |
| SCHEMBL13147208 | 0.75 | TRPA1 (0.53) | PTGS1AKR1C3AKR1C2PDE10APDE3B | |
| SCHEMBL7925457 | 0.74 | MTNR1A (0.61) | PTGS1AKR1C3AKR1C2KDM4EHSD17B10 | |
| SCHEMBL31429834 | 0.74 | MTNR1A (0.61) | PTGS1AKR1C3AKR1C2KDM4EHSD17B10 | |
| SCHEMBL2540127 | 0.73 | TRPA1 (0.50) | PDE10APDE3BPDE3AKDM4EMAPK1 | |
| SCHEMBL3739311 | 0.73 | TDP1 (0.53) | KDM4ENPSR1HSD17B10LMNAPLAU | |
| SCHEMBL11466749 | 0.72 | PTGS1 (0.59) | PTGS1AKR1C3AKR1C2KDM4EHSD17B10 |
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-2328865-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |