Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.31 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21318984 | 0.92 | KMT2A (0.34) | HTTHSD17B10HPGDLMNAKCNQ3 | |
| SCHEMBL19945228 | 0.90 | RAB9A (0.35) | HTTHPGDLMNAABCB1ALDH1A1 | |
| SCHEMBL19945526 | 0.89 | ADORA3 (0.36) | HTTHSD17B10HPGDLMNAADORA3 | |
| SCHEMBL19945798 | 0.83 | KCNQ3 (0.32) | HSD17B10HPGDLMNAKCNQ3KCNQ2 | |
| SCHEMBL19945779 | 0.82 | MEN1 (0.36) | HTTHPGDLMNAABCB1ALDH1A1 | |
| SCHEMBL21318963 | 0.81 | TSHR (0.31) | MAPK1L3MBTL1 | |
| SCHEMBL19945665 | 0.80 | ABCB1 (0.38) | CYP1A2ADORA3CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21318942 | 0.79 | KMT2A (0.34) | HTTLMNAADORA3MAPK1ABCB1 | |
| SCHEMBL21318967 | 0.78 | KMT2A (0.38) | HTTALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL21318986 | 0.77 | ADORA3 (0.31) | HPGDADORA3ALDH1A1KDM4EMEN1 |
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-3865482-A1 | 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2021-08-18 | — | — | EP | disclosed |
| EP-3504210-B1 | 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION | HOFFMANN LA ROCHE (CH) | 2021-02-24 | — | — | EP | disclosed |
| EP-3294740-B1 | NOVEL SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION | HOFFMANN LA ROCHE (CH) | 2019-09-04 | — | — | EP | disclosed |
| WO-2018041763-A1 | 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2018-03-08 | — | — | WO | disclosed |