Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | IGF1R | P08069 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | FABP4 | P15090 | 2/20 | 0.31 |
| ▸ | FABP5 | Q01469 | 2/20 | 0.31 |
| ▸ | FABP3 | P05413 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.30 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.30 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9541219 | 0.78 | ESR1 (0.41) | CYP1A2CYP2D6CYP2C9KDM4E | |
| SCHEMBL11043654 | 0.76 | CYP1A2 (0.41) | NT5ECYP1A2CYP2D6NPSR1KDM4E | |
| SCHEMBL10972715 | 0.73 | NT5E (0.45) | NT5ECYP1A2CYP2D6NPSR1MAPT | |
| SCHEMBL9538969 | 0.72 | NPBWR1 (0.39) | NT5EKDM4E | |
| SCHEMBL10974907 | 0.68 | NT5E (0.44) | NT5ECYP1A2CYP2D6NPSR1MAPT | |
| SCHEMBL10969359 | 0.68 | CYP1A2 (0.43) | NT5ECYP1A2CYP2D6NPSR1KDM4E | |
| SCHEMBL16833120 | 0.67 | CYP1A2 (0.43) | NT5ECYP1A2CYP2D6NPSR1SMN1; SMN2 | |
| SCHEMBL9538666 | 0.66 | NPBWR1 (0.39) | NPSR1MAPTSMN1; SMN2 | |
| SCHEMBL9540210 | 0.66 | TDP1 (0.47) | CYP1A2NPSR1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL11043650 | 0.65 | CYP1A2 (0.43) | NT5ECYP1A2CYP2D6NPSR1IGF1R |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0311955-B1 | BICYCLIC PEROXIDE | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-21 | — | — | EP | disclosed |
| US-5134240-A | Malaria therapy | HOFFMANN-LAROCHE, INC. (US) | 1992-07-28 | — | — | US | disclosed |
| US-4977184-A | Bicyclic peroxides compositions for and treatment of malaria therewith | HOFFMANN-LA ROCHE INC. (US) | 1990-12-11 | — | — | US | disclosed |
| EP-0311955-A2 | Bicyclic peroxide | F. HOFFMANN-LA ROCHE AG (CH) | 1989-04-19 | — | — | EP | disclosed |